4-[4-(diphenylmethyl)piperazin-1-yl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-(2-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(2-methylpiperidino)-5-nitro-pyrimidine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c1-21-10-8-9-15-32(21)27-25(33(34)35)26(28-20-29-27)31-18-16-30(17-19-31)24(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-7,11-14,20-21,24H,8-10,15-19H2,1H3