7JC

1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide

Created:2016-11-02
Last modified:  2018-11-14

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count11
2D diagram of 7JC
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Chemical Component Summary

Name1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
Systematic Name (OpenEye OEToolkits)1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
FormulaC18 H20 N4 O4 S2
Molecular Weight420.506
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4
SMILESOpenEye OEToolkits2.0.6Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C
Canonical SMILESCACTVS3.385 CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C
InChIInChI1.03 InChI=1S/C18H20N4O4S2/c1-11-19-9-12(27-11)10-22-16(23)14-8-13(4-5-15(14)21(3)17(22)24)28(25,26)20-18(2)6-7-18/h4-5,8-9,20H,6-7,10H2,1-3H3
InChIKeyInChI1.03 CZHJSHVWPOJSIU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4291874
PubChem 134169687
ChEMBL CHEMBL4291874