N6-(4-ethoxyphenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethoxyphenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3/c1-4-28-16-7-5-14(6-8-16)22-18-17(25(26)27)19(21-13-20-18)24(3)15-9-11-23(2)12-10-15/h5-8,13,15H,4,9-12H2,1-3H3,(H,20,21,22)