6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC(CC(C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C19H26N6O3/c1-4-28-15-7-5-14(6-8-15)21-19-22-17(20)16(25(26)27)18(23-19)24-10-12(2)9-13(3)11-24/h5-8,12-13H,4,9-11H2,1-3H3,(H3,20,21,22,23)/t12-,13-/m1/s1