3-methyl-7-[(3-methylphenyl)methyl]-8-(propylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(propylamino)purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(propylamino)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(propylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(propylamino)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(propylamino)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H21N5O2/c1-4-8-18-16-19-14-13(15(23)20-17(24)21(14)3)22(16)10-12-7-5-6-11(2)9-12/h5-7,9H,4,8,10H2,1-3H3,(H,18,19)(H,20,23,24)