N-(3-methoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-methoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-methoxyphenyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-methoxyphenyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-12-6-3-4-9-21(12)17-15(22(23)24)16(18-11-19-17)20-13-7-5-8-14(10-13)25-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H,18,19,20)