2-(3-aminophenyl)-7-[(4-methylphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-(3-aminophenyl)-7-[(4-methylphenyl)methyl]-3H-purin-6-one Openeye Name: 2-(3-aminophenyl)-7-(p-tolylmethyl)-3H-purin-6-one CAS Name: 2-(3-aminophenyl)-7-[(4-methylphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(3-aminophenyl)-7-[(4-methylphenyl)methyl]-3H-purin-6-one Traditional Name: 2-(3-aminophenyl)-7-(4-methylbenzyl)-3H-purin-6-one Formula: C19H17N5O MolecularWeight: 331.37118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)N

InChI

InChI=1S/C19H17N5O/c1-12-5-7-13(8-6-12)10-24-11-21-18-16(24)19(25)23-17(22-18)14-3-2-4-15(20)9-14/h2-9,11H,10,20H2,1H3,(H,22,23,25)