N-(3,4-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H28N6O MolecularWeight: 380.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

InChI

InChI=1S/C21H28N6O/c1-16-5-6-18(13-17(16)2)24-21(28)27-11-9-26(10-12-27)20-14-19(22-15-23-20)25-7-3-4-8-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,24,28)