2-[2-(4-methoxy-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-[2-(4-methoxy-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-(4-methoxy-3-methyl-phenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-keto-2-(4-methoxy-3-methyl-phenyl)ethyl]thio]-3,7-dihydropurin-6-one Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)OC

InChI

InChI=1S/C15H14N4O3S/c1-8-5-9(3-4-11(8)22-2)10(20)6-23-15-18-13-12(14(21)19-15)16-7-17-13/h3-5,7H,6H2,1-2H3,(H2,16,17,18,19,21)