N-(2,5-dimethoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethoxyphenyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,5-dimethoxyphenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethoxyphenyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4/c1-12-6-4-5-9-22(12)18-16(23(24)25)17(19-11-20-18)21-14-10-13(26-2)7-8-15(14)27-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,20,21)