N2-(2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2,5-dimethoxyphenyl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2,5-dimethoxyphenyl)-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NC3=C(C=CC(=C3)OC)OC)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NC3=C(C=CC(=C3)OC)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4/c1-11-6-8-23(9-7-11)17-15(24(25)26)16(19)21-18(22-17)20-13-10-12(27-2)4-5-14(13)28-3/h4-5,10-11H,6-9H2,1-3H3,(H3,19,20,21,22)