3-methyl-7-[(4-methylphenyl)methyl]-8-(2-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(2-hydroxypropylamino)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-hydroxypropylamino)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-hydroxypropylamino)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-hydroxypropylamino)-3-methyl-7-(4-methylbenzyl)xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC(C)O)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC(C)O)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H21N5O3/c1-10-4-6-12(7-5-10)9-22-13-14(19-16(22)18-8-11(2)23)21(3)17(25)20-15(13)24/h4-7,11,23H,8-9H2,1-3H3,(H,18,19)(H,20,24,25)