8-(3-azanylpiperidin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(2-chlorophenyl)methyl]-3-methyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(2-chlorophenyl)methyl]-3-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(2-chlorobenzyl)-1-(2-keto-2-pyrrolidino-ethyl)-3-methyl-xanthine Formula: C24H30ClN7O3 MolecularWeight: 499.9931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H30ClN7O3/c1-28-21-20(22(34)32(24(28)35)15-19(33)29-10-4-5-11-29)31(13-16-7-2-3-9-18(16)25)23(27-21)30-12-6-8-17(26)14-30/h2-3,7,9,17H,4-6,8,10-15,26H2,1H3