methyl N-[2-azanyl-9-[(3-methylphenyl)methyl]-6-oxidanylidene-3H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-azanyl-9-[(3-methylphenyl)methyl]-6-oxidanylidene-3H-purin-8-yl]carbamate Openeye Name: methyl N-[2-amino-9-(m-tolylmethyl)-6-oxo-3H-purin-8-yl]carbamate CAS Name: N-[2-amino-9-[(3-methylphenyl)methyl]-6-oxo-3H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-amino-9-[(3-methylphenyl)methyl]-6-oxo-3H-purin-8-yl]carbamate Traditional Name: N-[2-amino-6-keto-9-(3-methylbenzyl)-3H-purin-8-yl]carbamic acid methyl ester Formula: C15H16N6O3 MolecularWeight: 328.32594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2NC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2NC(=O)OC

InChI

InChI=1S/C15H16N6O3/c1-8-4-3-5-9(6-8)7-21-11-10(12(22)19-13(16)18-11)17-14(21)20-15(23)24-2/h3-6H,7H2,1-2H3,(H,17,20,23)(H3,16,18,19,22)