7-[(2,4-dichlorophenyl)methylamino]-5-[4-(2-pyrrolidin-1-ylethanoyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide

Systemtic Name: 7-[(2,4-dichlorophenyl)methylamino]-5-[4-(2-pyrrolidin-1-ylethanoyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide Openeye Name: 7-[(2,4-dichlorophenyl)methylamino]-5-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide CAS Name: 7-[(2,4-dichlorophenyl)methylamino]-5-[4-[1-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide IUPAC Name: 7-[(2,4-dichlorophenyl)methylamino]-5-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide Traditional Name: 7-[(2,4-dichlorobenzyl)amino]-5-[4-(2-pyrrolidinoacetyl)piperazino]-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide Formula: C23H27Cl2N9O2 MolecularWeight: 532.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)N2CCN(CC2)C3=NC(=C(C4=NN=CN43)C(=O)N)NCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(C1)CC(=O)N2CCN(CC2)C3=NC(=C(C4=NN=CN43)C(=O)N)NCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H27Cl2N9O2/c24-16-4-3-15(17(25)11-16)12-27-21-19(20(26)36)22-30-28-14-34(22)23(29-21)33-9-7-32(8-10-33)18(35)13-31-5-1-2-6-31/h3-4,11,14,27H,1-2,5-10,12-13H2,(H2,26,36)