N-(3-methylphenyl)-4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: 4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-N-(m-tolyl)piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methylphenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: 4-(2-methyl-6-pyrrolidino-pyrimidin-4-yl)-N-(m-tolyl)piperazine-1-carboxamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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