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

Systemtic Name: 6-(2-methylpiperidin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-(2-methyl-1-piperidyl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-(2-methyl-1-piperidinyl)-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-(2-methylpiperidin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4/c1-11-5-2-3-8-20(11)16-14(22(25)26)15(17-10-18-16)19-12-6-4-7-13(9-12)21(23)24/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,17,18,19)