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

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(4-methylbenzyl)xanthine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2/c1-5-25(6-2)12-11-21-19-22-17-16(18(27)23-20(28)24(17)4)26(19)13-15-9-7-14(3)8-10-15/h7-10H,5-6,11-13H2,1-4H3,(H,21,22)(H,23,27,28)