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Summary

Name:	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
Formula:	C15 H19 N5 O4 S2
Formal charge:	0
Formula weight:	397.472 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
OpenEye OEToolkits	1.5.0	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)thiophene-2-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(N)c3sc(OCC)c(C1=Nc2c(C(=O)N1)n(nc2CCC)C)c3
SMILES_CANONICAL	CACTVS	3.341	CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(sc3OCC)[S](N)(=O)=O
SMILES	CACTVS	3.341	CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(sc3OCC)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N
SMILES	OpenEye OEToolkits	1.5.0	CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H19N5O4S2/c1-4-6-9-11-12(20(3)19-9)14(21)18-13(17-11)8-7-10(26(16,22)23)25-15(8)24-5-2/h7H,4-6H2,1-3H3,(H2,16,22,23)(H,17,18,21)
InChIKey	InChI	1.03	FENWRHVHBZQJGW-UHFFFAOYSA-N

227111

PDB entries from 2024-11-06

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