4-(6-chloranyl-2-imidazol-1-yl-4H-pyrimidin-3-yl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-4H-pyrimidin-3-yl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-4H-pyrimidin-3-yl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4H-pyrimidin-3-yl]-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-yl-4H-pyrimidin-3-yl)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-4H-pyrimidin-3-yl)-2-[2-keto-2-(veratrylamino)ethyl]-N-propyl-piperazine-1-carboxamide Formula: C26H35ClN8O4 MolecularWeight: 559.0603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1CC(=O)NCC2=CC(=C(C=C2)OC)OC)N3CC=C(N=C3N4C=CN=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1CC(=O)NCC2=CC(=C(C=C2)OC)OC)N3CC=C(N=C3N4C=CN=C4)Cl

InChI

InChI=1S/C26H35ClN8O4/c1-4-8-29-26(37)34-13-12-33(35-10-7-23(27)31-25(35)32-11-9-28-18-32)17-20(34)15-24(36)30-16-19-5-6-21(38-2)22(14-19)39-3/h5-7,9,11,14,18,20H,4,8,10,12-13,15-17H2,1-3H3,(H,29,37)(H,30,36)