2-(5-methylthiophen-2-yl)-8-oxidanylidene-9-(phenylmethyl)-7H-purine-6-carboxamide

Systemtic Name: 2-(5-methylthiophen-2-yl)-8-oxidanylidene-9-(phenylmethyl)-7H-purine-6-carboxamide Openeye Name: 9-benzyl-2-(5-methyl-2-thienyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-8-oxo-9-(phenylmethyl)-7H-purine-6-carboxamide IUPAC Name: 9-benzyl-2-(5-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-benzyl-8-keto-2-(5-methyl-2-thienyl)-7H-purine-6-carboxamide Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(S1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C18H15N5O2S/c1-10-7-8-12(26-10)16-20-13(15(19)24)14-17(22-16)23(18(25)21-14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,19,24)(H,21,25)