8LP
6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
Created: | 2017-02-15 |
Last modified: | 2017-07-19 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 0 |
Bond Count | 60 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione |
Systematic Name (OpenEye OEToolkits) | 3-(3-phenylmethoxyphenyl)-6-(phenylmethyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione |
Formula | C27 H23 N3 O3 |
Molecular Weight | 437.49 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N5C=2C(=CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4ccccc4)C5=O |
SMILES | CACTVS | 3.385 | O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5 |
Canonical SMILES | CACTVS | 3.385 | O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32) |
InChIKey | InChI | 1.03 | BHMKGMWMMMZMJN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4065018 |
PubChem | 137348721 |
ChEMBL | CHEMBL4065018 |