N-[4-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pyrimidin-2-yl]-1,2-oxazol-4-amine

Systemtic Name: N-[4-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pyrimidin-2-yl]-1,2-oxazol-4-amine Openeye Name: N-[4-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pyrimidin-2-yl]isoxazol-4-amine CAS Name: N-[4-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)-2-pyrimidinyl]-4-isoxazolamine IUPAC Name: N-[4-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pyrimidin-2-yl]-1,2-oxazol-4-amine Traditional Name: isoxazol-4-yl-[4-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pyrimidin-2-yl]amine Formula: C16H16N6O MolecularWeight: 308.33784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2N(C1)C3=NC(=NC=C3)NC4=CON=C4

Isomeric SMILES

C1CNC2=CC=CC=C2N(C1)C3=NC(=NC=C3)NC4=CON=C4

InChI

InChI=1S/C16H16N6O/c1-2-5-14-13(4-1)17-7-3-9-22(14)15-6-8-18-16(21-15)20-12-10-19-23-11-12/h1-2,4-6,8,10-11,17H,3,7,9H2,(H,18,20,21)