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

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-])N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H24N6O3/c1-11-8-12(2)10-23(9-11)18-21-16(19)15(24(25)26)17(22-18)20-13-4-6-14(27-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H3,19,20,21,22)/t11-,12-/m1/s1