6-(2-thiophen-3-yl-4-bicyclo[2.2.2]octanyl)pyrimidine-2,4,5-triamine

Systemtic Name: 6-(2-thiophen-3-yl-4-bicyclo[2.2.2]octanyl)pyrimidine-2,4,5-triamine Openeye Name: 6-[2-(3-thienyl)-4-bicyclo[2.2.2]octanyl]pyrimidine-2,4,5-triamine CAS Name: 6-[2-(3-thiophenyl)-4-bicyclo[2.2.2]octanyl]pyrimidine-2,4,5-triamine IUPAC Name: 6-(2-thiophen-3-yl-4-bicyclo[2.2.2]octanyl)pyrimidine-2,4,5-triamine Traditional Name: [2,4-diamino-6-[2-(3-thienyl)-4-bicyclo[2.2.2]octanyl]pyrimidin-5-yl]amine Formula: C16H21N5S MolecularWeight: 315.43644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(C2)C3=CSC=C3)C4=C(C(=NC(=N4)N)N)N

Isomeric SMILES

C1CC2(CCC1C(C2)C3=CSC=C3)C4=C(C(=NC(=N4)N)N)N

InChI

InChI=1S/C16H21N5S/c17-12-13(20-15(19)21-14(12)18)16-4-1-9(2-5-16)11(7-16)10-3-6-22-8-10/h3,6,8-9,11H,1-2,4-5,7,17H2,(H4,18,19,20,21)