1,3-dimethyl-8-[(3-methylphenyl)amino]-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(3-methylphenyl)amino]-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-methylanilino)-7-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylanilino)-7-[2-oxo-2-(1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylanilino)-7-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 7-(2-keto-2-pyrrolidino-ethyl)-1,3-dimethyl-8-(m-toluidino)xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(=O)N4CCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(=O)N4CCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N6O3/c1-13-7-6-8-14(11-13)21-19-22-17-16(18(28)24(3)20(29)23(17)2)26(19)12-15(27)25-9-4-5-10-25/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,22)