N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-methyl-N2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine

Systemtic Name: N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-methyl-N2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine Openeye Name: N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-methyl-N2-[(3-phenylisoxazol-5-yl)methyl]pyrimidine-2,4,6-triamine CAS Name: N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-methyl-N2-[(3-phenyl-5-isoxazolyl)methyl]pyrimidine-2,4,6-triamine IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine Traditional Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[6-(methylamino)-2-[(3-phenylisoxazol-5-yl)methylamino]pyrimidin-4-yl]amine Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1)NC2=NNC(=C2)C3CC3)NCC4=CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

CNC1=NC(=NC(=C1)NC2=NNC(=C2)C3CC3)NCC4=CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C21H22N8O/c1-22-18-11-19(24-20-10-16(27-28-20)14-7-8-14)26-21(25-18)23-12-15-9-17(29-30-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3,(H4,22,23,24,25,26,27,28)