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

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-phenylethanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-18-14-13(15(22)19(2)16(18)23)20(9-17-14)10-24-12(21)8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3