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

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-12-6-5-9-22(11-12)17-20-15(18)14(23(24)25)16(21-17)19-10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H3,18,19,20,21)/t12-/m0/s1