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

Systemtic Name: N4-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-2-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-11-4-3-9-22(10-11)17-20-15(18)14(23(24)25)16(21-17)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