4-[(2,4-dichlorophenyl)methylamino]-2-(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)-8H-pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 4-[(2,4-dichlorophenyl)methylamino]-2-(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-[oxo(2-pyrrolidinyl)methyl]-1-piperazinyl]-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 4-[(2,4-dichlorobenzyl)amino]-2-(4-prolylpiperazino)-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C22H24Cl2N8O2 MolecularWeight: 503.38436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5=C(C=C(C=C5)Cl)Cl)C(=O)N=CN4

Isomeric SMILES

C1CC(NC1)C(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5=C(C=C(C=C5)Cl)Cl)C(=O)N=CN4

InChI

InChI=1S/C22H24Cl2N8O2/c23-14-4-3-13(15(24)10-14)11-26-18-17-19(27-12-28-20(17)33)30-22(29-18)32-8-6-31(7-9-32)21(34)16-2-1-5-25-16/h3-4,10,12,16,25H,1-2,5-9,11H2,(H2,26,27,28,29,30,33)