9-(3,4-dimethoxyphenyl)-8-oxidanylidene-2-thiophen-2-yl-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethoxyphenyl)-8-oxidanylidene-2-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethoxyphenyl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethoxyphenyl)-8-keto-2-(2-thienyl)-7H-purine-6-carboxamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CS4)OC

InChI

InChI=1S/C18H15N5O4S/c1-26-10-6-5-9(8-11(10)27-2)23-17-14(21-18(23)25)13(15(19)24)20-16(22-17)12-4-3-7-28-12/h3-8H,1-2H3,(H2,19,24)(H,21,25)