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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(2-pyridylmethyl)pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(2-pyridinylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[5-nitro-2-(2-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=N3

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=N3

InChI

InChI=1S/C18H25N7O2/c19-9-13-4-6-14(7-5-13)10-21-17-16(25(26)27)12-23-18(24-17)22-11-15-3-1-2-8-20-15/h1-3,8,12-14H,4-7,9-11,19H2,(H2,21,22,23,24)