6-chloranyl-4-(2-hydroxyethyl)-3-(phenylmethyl)-7-pyrimidin-2-yloxy-chromen-2-one

Systemtic Name: 6-chloranyl-4-(2-hydroxyethyl)-3-(phenylmethyl)-7-pyrimidin-2-yloxy-chromen-2-one Openeye Name: 3-benzyl-6-chloro-4-(2-hydroxyethyl)-7-pyrimidin-2-yloxy-chromen-2-one CAS Name: 6-chloro-4-(2-hydroxyethyl)-3-(phenylmethyl)-7-(2-pyrimidinyloxy)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-4-(2-hydroxyethyl)-7-pyrimidin-2-yloxychromen-2-one Traditional Name: 3-benzyl-6-chloro-4-(2-hydroxyethyl)-7-(2-pyrimidyloxy)coumarin Formula: C22H17ClN2O4 MolecularWeight: 408.83438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC(=C(C=C3OC2=O)OC4=NC=CC=N4)Cl)CCO

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC(=C(C=C3OC2=O)OC4=NC=CC=N4)Cl)CCO

InChI

InChI=1S/C22H17ClN2O4/c23-18-12-16-15(7-10-26)17(11-14-5-2-1-3-6-14)21(27)28-19(16)13-20(18)29-22-24-8-4-9-25-22/h1-6,8-9,12-13,26H,7,10-11H2