2-azanyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[[2-keto-2-(p-tolyl)ethyl]thio]-3,7-dihydropurin-6-one Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H13N5O2S/c1-7-2-4-8(5-3-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)