N'-ethyl-N'-(3-methylphenyl)-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

Systemtic Name: N'-ethyl-N'-(3-methylphenyl)-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine Openeye Name: N'-ethyl-N'-(m-tolyl)-N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine CAS Name: N'-ethyl-N'-(3-methylphenyl)-N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]ethane-1,2-diamine IUPAC Name: N'-ethyl-N'-(3-methylphenyl)-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine Traditional Name: ethyl-(m-tolyl)-[2-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]ethyl]amine Formula: C24H30N8O2 MolecularWeight: 462.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC(=C4)C

Isomeric SMILES

CCN(CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC(=C4)C

InChI

InChI=1S/C24H30N8O2/c1-3-29(20-8-6-7-19(2)17-20)12-11-26-23-22(32(33)34)24(28-18-27-23)31-15-13-30(14-16-31)21-9-4-5-10-25-21/h4-10,17-18H,3,11-16H2,1-2H3,(H,26,27,28)