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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H24N6O2/c1-12-6-5-7-13(10-12)11-24-14-15(23(4)18(26)21-16(14)25)20-17(24)19-8-9-22(2)3/h5-7,10H,8-9,11H2,1-4H3,(H,19,20)(H,21,25,26)