N4-butyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-butyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-butyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-butyl-N2-[4-(4-methyl-1-piperazinyl)phenyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-butyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitropyrimidine-2,4-diamine Traditional Name: butyl-[2-[4-(4-methylpiperazino)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H27N7O2 MolecularWeight: 385.46338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C19H27N7O2/c1-3-4-9-20-18-17(26(27)28)14-21-19(23-18)22-15-5-7-16(8-6-15)25-12-10-24(2)11-13-25/h5-8,14H,3-4,9-13H2,1-2H3,(H2,20,21,22,23)