3,7-dimethyl-8-[(3-methylphenyl)amino]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[(3-methylphenyl)amino]purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(3-methylanilino)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(3-methylanilino)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(3-methylanilino)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(m-toluidino)xanthine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2C)C(=O)NC(=O)N3C

InChI

InChI=1S/C14H15N5O2/c1-8-5-4-6-9(7-8)15-13-16-11-10(18(13)2)12(20)17-14(21)19(11)3/h4-7H,1-3H3,(H,15,16)(H,17,20,21)