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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-2-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4/c1-11-5-4-8-23(10-11)18-21-16(19)15(24(25)26)17(22-18)20-13-9-12(27-2)6-7-14(13)28-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,19,20,21,22)/t11-/m0/s1