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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O2/c1-20(2)13-14-27-25-24(32(33)34)26(29-19-28-25)31-17-15-30(16-18-31)23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,19-20,23H,13-18H2,1-2H3,(H,27,28,29)