2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N4-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C19H26N6O3/c1-4-28-15-7-5-14(6-8-15)21-18-16(25(26)27)17(20)22-19(23-18)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