2-(4-ethoxyphenyl)-8-oxidanylidene-9-thiophen-2-yl-7H-purine-6-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-8-oxidanylidene-9-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-8-oxo-9-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 2-(4-ethoxyphenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 2-(4-ethoxyphenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 8-keto-2-p-phenetyl-9-(2-thienyl)-7H-purine-6-carboxamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N

InChI

InChI=1S/C18H15N5O3S/c1-2-26-11-7-5-10(6-8-11)16-20-13(15(19)24)14-17(22-16)23(18(25)21-14)12-4-3-9-27-12/h3-9H,2H2,1H3,(H2,19,24)(H,21,25)