3-cyclopentyl-5-(2-ethynoxyphenyl)-4H-[1,2]oxazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-cyclopentyl-5-(2-ethynoxyphenyl)-4H-[1,2]oxazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-cyclopentyl-5-(2-ethynoxyphenyl)-4H-isoxazolo[4,5-d]pyrimidin-7-one CAS Name: 3-cyclopentyl-5-(2-ethynoxyphenyl)-4H-isoxazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-cyclopentyl-5-(2-ethynoxyphenyl)-4H-[1,2]oxazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-cyclopentyl-5-(2-ethynoxyphenyl)-4H-isoxazolo[4,5-d]pyrimidin-7-one Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#COC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=NO3)C4CCCC4

Isomeric SMILES

C#COC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=NO3)C4CCCC4

InChI

InChI=1S/C18H15N3O3/c1-2-23-13-10-6-5-9-12(13)17-19-15-14(11-7-3-4-8-11)21-24-16(15)18(22)20-17/h1,5-6,9-11H,3-4,7-8H2,(H,19,20,22)