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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]amine Formula: C14H22N6O2 MolecularWeight: 306.36348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N6O2/c1-4-5-16-14-17-12(15)11(20(21)22)13(18-14)19-7-9(2)6-10(3)8-19/h4,9-10H,1,5-8H2,2-3H3,(H3,15,16,17,18)/t9-,10-/m1/s1