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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(2-thienylmethyl)pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[5-nitro-2-(2-thenylamino)pyrimidin-4-yl]amine Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CS3

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CS3

InChI

InChI=1S/C17H24N6O2S/c18-8-12-3-5-13(6-4-12)9-19-16-15(23(24)25)11-21-17(22-16)20-10-14-2-1-7-26-14/h1-2,7,11-13H,3-6,8-10,18H2,(H2,19,20,21,22)