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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2S/c34-33(35)25-26(28-14-13-23-12-7-19-36-23)29-20-30-27(25)32-17-15-31(16-18-32)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,24H,13-18H2,(H,28,29,30)