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

Systemtic Name: N6-(4-butoxyphenyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butoxyphenyl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butoxyphenyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butoxyanilino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)N

InChI

InChI=1S/C18H22N6O2/c1-3-4-9-25-14-7-5-13(6-8-14)22-17-16(19)18(21-11-20-17)23-15-10-12(2)26-24-15/h5-8,10-11H,3-4,9,19H2,1-2H3,(H2,20,21,22,23,24)