N-[(4-methoxyphenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

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