2-azanyl-9-(phenylmethyl)-6-sulfanylidene-3,7-dihydropurin-8-one

Systemtic Name: 2-azanyl-9-(phenylmethyl)-6-sulfanylidene-3,7-dihydropurin-8-one Openeye Name: 2-amino-9-benzyl-6-thioxo-3,7-dihydropurin-8-one CAS Name: 2-amino-9-(phenylmethyl)-6-sulfanylidene-3,7-dihydropurin-8-one IUPAC Name: 2-amino-9-benzyl-6-sulfanylidene-3,7-dihydropurin-8-one Traditional Name: 2-amino-9-benzyl-6-thioxo-3,7-dihydropurin-8-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=S)N=C(N3)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=S)N=C(N3)N)NC2=O

InChI

InChI=1S/C12H11N5OS/c13-11-15-9-8(10(19)16-11)14-12(18)17(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,18)(H3,13,15,16,19)