8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(dimethylamino)-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(dimethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(dimethylamino)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N(C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N(C)C)N(C2=O)C

InChI

InChI=1S/C17H21N5O2/c1-11-6-8-12(9-7-11)10-22-15(23)13-14(21(5)17(22)24)18-16(19(2)3)20(13)4/h6-9H,10H2,1-5H3