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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N6O2/c1-13-10-14(2)12-24(11-13)18-16(25(26)27)17(20)22-19(23-18)21-9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H3,20,21,22,23)/t13-,14-/m1/s1