(2-methyl-3-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C20H24N6O3 MolecularWeight: 396.44296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C20H24N6O3/c1-15-16(5-4-6-17(15)26(28)29)20(27)25-11-9-24(10-12-25)19-13-18(21-14-22-19)23-7-2-3-8-23/h4-6,13-14H,2-3,7-12H2,1H3