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Summary Geometry Related PDB entries

7JC

Summary

Name:	1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
Formula:	C18 H20 N4 O4 S2
Formal charge:	0
Formula weight:	420.506 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	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
InChIKey	InChI	1.03	CZHJSHVWPOJSIU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4
SMILES	CACTVS	3.385	CN1C(=O)N(Cc2sc(C)nc2)C(=O)c3cc(ccc13)[S](=O)(=O)NC4(C)CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C

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