N-(2-methoxy-5-methyl-phenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-methoxy-5-methyl-phenyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-methoxy-5-methylphenyl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-methoxy-5-methylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-methoxy-5-methyl-phenyl)-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-12-6-7-15(26-3)14(9-12)21-17-16(23(24)25)18(20-11-19-17)22-8-4-5-13(2)10-22/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,20,21)