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

Systemtic Name: 8-(ethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(ethylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(ethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(ethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(ethylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H19N5O2/c1-4-17-15-18-13-12(14(22)19-16(23)20(13)3)21(15)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,22,23)