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

Systemtic Name: N2-(3,4-dimethylphenyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethylphenyl)-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethylphenyl)-6-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-(3,4-dimethylphenyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-11-5-4-8-23(10-11)17-15(24(25)26)16(19)21-18(22-17)20-14-7-6-12(2)13(3)9-14/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,19,20,21,22)/t11-/m0/s1