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

Systemtic Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(3-methyl-1-piperidyl)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-(3-methyl-1-piperidinyl)-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-14-6-5-11-22(12-14)18-16(23(24)25)17(20-13-21-18)19-10-9-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,19,20,21)