S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] (E)-3-phenylprop-2-enethioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] (E)-3-phenylprop-2-enethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] (E)-3-phenylprop-2-enethioate CAS Name: (E)-3-phenyl-2-propenethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] (E)-3-phenylprop-2-enethioate Traditional Name: (E)-3-phenylprop-2-enethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-19-15-14(16(23)20(2)17(19)24)21(10-18-15)11-25-13(22)9-8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+