N-(3-methylbutyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-methylbutyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C20H28N6O2 MolecularWeight: 384.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N6O2/c1-16(2)8-9-21-19-18(26(27)28)20(23-15-22-19)25-12-10-24(11-13-25)14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,21,22,23)