6-azanylidene-9-methyl-3-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanylidene-9-methyl-3-(phenylmethyl)-7H-purin-8-one Openeye Name: 3-benzyl-6-imino-9-methyl-7H-purin-8-one CAS Name: 6-imino-9-methyl-3-(phenylmethyl)-7H-purin-8-one IUPAC Name: 3-benzyl-6-imino-9-methyl-7H-purin-8-one Traditional Name: 3-benzyl-6-imino-9-methyl-7H-purin-8-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N)N=CN2CC3=CC=CC=C3)NC1=O

Isomeric SMILES

CN1C2=C(C(=N)N=CN2CC3=CC=CC=C3)NC1=O

InChI

InChI=1S/C13H13N5O/c1-17-12-10(16-13(17)19)11(14)15-8-18(12)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3,(H,16,19)