N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(3-nitrophenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(3-nitrophenyl)pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(3-nitrophenyl)pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(3-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-(3-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[5-nitro-2-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C18H23N7O4 MolecularWeight: 401.41972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O4/c19-9-12-4-6-13(7-5-12)10-20-17-16(25(28)29)11-21-18(23-17)22-14-2-1-3-15(8-14)24(26)27/h1-3,8,11-13H,4-7,9-10,19H2,(H2,20,21,22,23)