N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c1-21-8-6-13(7-9-21)22(2)17-15(24(27)28)16(18-11-19-17)20-12-4-3-5-14(10-12)23(25)26/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,19,20)