N-(4,4-diethoxybutyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4,4-diethoxybutyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(4,4-diethoxybutyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4,4-diethoxybutyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(4,4-diethoxybutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4,4-diethoxybutyl)amine Formula: C23H34N6O4 MolecularWeight: 458.55386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)OCC

InChI

InChI=1S/C23H34N6O4/c1-3-32-20(33-4-2)11-8-12-24-22-21(29(30)31)23(26-18-25-22)28-15-13-27(14-16-28)17-19-9-6-5-7-10-19/h5-7,9-10,18,20H,3-4,8,11-17H2,1-2H3,(H,24,25,26)