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

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H24N6O2/c1-12-8-13(2)11-23(10-12)18-21-16(19)15(24(25)26)17(22-18)20-9-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,19,20,21,22)/t12-,13-/m1/s1