N-[(2-ethoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2-ethoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-ethoxyphenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2-ethoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-ethoxybenzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C18H24N6O3/c1-3-27-15-7-5-4-6-14(15)12-19-17-16(24(25)26)18(21-13-20-17)23-10-8-22(2)9-11-23/h4-7,13H,3,8-12H2,1-2H3,(H,19,20,21)