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

Systemtic Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H30N6O2/c1-6-26(7-2)12-11-22-20-23-18-17(19(28)25(5)21(29)24(18)4)27(20)14-16-10-8-9-15(3)13-16/h8-10,13H,6-7,11-12,14H2,1-5H3,(H,22,23)