N-butan-2-yl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-butan-2-yl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C20H28N6O2 MolecularWeight: 384.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H28N6O2/c1-5-15(3)23-19-18(26(27)28)20(22-13-21-19)25-11-9-24(10-12-25)17-8-6-7-14(2)16(17)4/h6-8,13,15H,5,9-12H2,1-4H3,(H,21,22,23)