N6-(3-methylbutyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-methylbutyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-isopentyl-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(3-methylbutyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(isoamylamino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C13H20N6O MolecularWeight: 276.3375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCC(C)C)N

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCC(C)C)N

InChI

InChI=1S/C13H20N6O/c1-8(2)4-5-15-12-11(14)13(17-7-16-12)18-10-6-9(3)20-19-10/h6-8H,4-5,14H2,1-3H3,(H2,15,16,17,18,19)