N-(4,4-diethoxybutyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(4,4-diethoxybutyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(4,4-diethoxybutyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(4,4-diethoxybutyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(4,4-diethoxybutyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 4,4-diethoxybutyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C21H31N7O4 MolecularWeight: 445.51534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)OCC

Isomeric SMILES

CCOC(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)OCC

InChI

InChI=1S/C21H31N7O4/c1-3-31-18(32-4-2)9-7-11-23-20-19(28(29)30)21(25-16-24-20)27-14-12-26(13-15-27)17-8-5-6-10-22-17/h5-6,8,10,16,18H,3-4,7,9,11-15H2,1-2H3,(H,23,24,25)