3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-p-anisyl-2-thioxo-7H-purin-6-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)NC=N3

InChI

InChI=1S/C13H12N4O2S/c1-19-9-4-2-8(3-5-9)6-17-11-10(14-7-15-11)12(18)16-13(17)20/h2-5,7H,6H2,1H3,(H,14,15)(H,16,18,20)