N2-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazino)-5-nitro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H23N7O3/c1-3-27-13-6-4-12(5-7-13)19-17-20-15(18)14(24(25)26)16(21-17)23-10-8-22(2)9-11-23/h4-7H,3,8-11H2,1-2H3,(H3,18,19,20,21)