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

Systemtic Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-(3-methyl-1-piperidyl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-(3-methyl-1-piperidinyl)-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4/c1-11-4-3-7-20(9-11)16-14(22(25)26)15(17-10-18-16)19-12-5-2-6-13(8-12)21(23)24/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H,17,18,19)