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

Systemtic Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCO)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCO)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H19N5O3/c1-10-4-3-5-11(8-10)9-21-12-13(18-15(21)17-6-7-22)20(2)16(24)19-14(12)23/h3-5,8,22H,6-7,9H2,1-2H3,(H,17,18)(H,19,23,24)