N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(1-phenylcyclopropyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(1-phenylcyclopropyl)pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(1-phenylcyclopropyl)pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(1-phenylcyclopropyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-(1-phenylcyclopropyl)pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[5-nitro-2-[(1-phenylcyclopropyl)amino]pyrimidin-4-yl]amine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c22-12-15-6-8-16(9-7-15)13-23-19-18(27(28)29)14-24-20(25-19)26-21(10-11-21)17-4-2-1-3-5-17/h1-5,14-16H,6-13,22H2,(H2,23,24,25,26)