N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N2-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N2-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: N4-(3-isopropoxy-1H-pyrazol-5-yl)-N2-[(3-pyrimidin-2-ylisoxazol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N2-[[3-(2-pyrimidinyl)-5-isoxazolyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)-2-N-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: (3-isopropoxy-1H-pyrazol-5-yl)-[2-[[3-(2-pyrimidyl)isoxazol-5-yl]methylamino]pyrimidin-4-yl]amine Formula: C18H19N9O2 MolecularWeight: 393.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2)NCC3=CC(=NO3)C4=NC=CC=N4

Isomeric SMILES

CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2)NCC3=CC(=NO3)C4=NC=CC=N4

InChI

InChI=1S/C18H19N9O2/c1-11(2)28-16-9-15(25-26-16)23-14-4-7-21-18(24-14)22-10-12-8-13(27-29-12)17-19-5-3-6-20-17/h3-9,11H,10H2,1-2H3,(H3,21,22,23,24,25,26)