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

Systemtic Name: N-(4-iodophenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-iodophenyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-iodophenyl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-iodophenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-iodophenyl)-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18IN5O2 MolecularWeight: 439.25089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18IN5O2/c1-11-3-2-8-21(9-11)16-14(22(23)24)15(18-10-19-16)20-13-6-4-12(17)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,19,20)