N2-(4-methoxyphenyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-methoxyphenyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-methoxyphenyl)-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-methoxyphenyl)-6-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-methoxyphenyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-(4-methoxyphenyl)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-11-4-3-9-22(10-11)16-14(23(24)25)15(18)20-17(21-16)19-12-5-7-13(26-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,18,19,20,21)/t11-/m0/s1