ethyl [3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methylsulfanylmethanoate

Systemtic Name: ethyl [3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methylsulfanylmethanoate Openeye Name: ethyl (7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)methylsulfanylformate CAS Name: [[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]methylthio]formic acid ethyl ester IUPAC Name: ethyl (7-benzyl-3-methyl-2,6-dioxopurin-8-yl)methylsulfanylformate Traditional Name: [(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)methylthio]formic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)SCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H18N4O4S/c1-3-25-17(24)26-10-12-18-14-13(15(22)19-16(23)20(14)2)21(12)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,19,22,23)