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

Systemtic Name: N6-(4-butylphenyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C18H22N6O MolecularWeight: 338.40688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)N

InChI

InChI=1S/C18H22N6O/c1-3-4-5-13-6-8-14(9-7-13)22-17-16(19)18(21-11-20-17)23-15-10-12(2)25-24-15/h6-11H,3-5,19H2,1-2H3,(H2,20,21,22,23,24)