6-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(2-methoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C24H28N6O3 MolecularWeight: 448.51752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N6O3/c1-33-17-12-25-23-22(30(31)32)24(27-18-26-23)29-15-13-28(14-16-29)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,25,26,27)