9-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 9-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 9-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 9-[4-[4-(3-chlorophenyl)piperazino]butyl]-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C24H28ClN7O3 MolecularWeight: 497.97722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H28ClN7O3/c1-27-21-20(22(34)28(2)24(27)35)32-11-8-19(33)31(23(32)26-21)10-4-3-9-29-12-14-30(15-13-29)18-7-5-6-17(25)16-18/h5-8,11,16H,3-4,9-10,12-15H2,1-2H3