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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O3/c1-34-18-8-13-26-24-23(31(32)33)25(28-19-27-24)30-16-14-29(15-17-30)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,26,27,28)