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

Systemtic Name: 2-azanyl-8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3,7-dihydropurin-6-one Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)