3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C24H22N6O4S MolecularWeight: 490.53428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N6O4S/c1-27-15-25-21-20(27)22(31)29(24(33)28(21)2)11-7-12-34-23(32)17-14-30(16-8-4-3-5-9-16)26-19(17)18-10-6-13-35-18/h3-6,8-10,13-15H,7,11-12H2,1-2H3