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

Systemtic Name: 8-(2-dimethylaminoethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCN(C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCN(C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H26N6O2/c1-13-7-6-8-14(11-13)12-25-15-16(21-18(25)20-9-10-22(2)3)23(4)19(27)24(5)17(15)26/h6-8,11H,9-10,12H2,1-5H3,(H,20,21)