2-(8-azanylisoquinolin-5-yl)sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-(8-azanylisoquinolin-5-yl)sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(8-amino-5-isoquinolyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(8-amino-5-isoquinolinyl)thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(8-aminoisoquinolin-5-yl)sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(8-amino-5-isoquinolyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C14H12N4OS/c1-8-6-13(19)18-14(17-8)20-12-3-2-11(15)10-7-16-5-4-9(10)12/h2-7H,15H2,1H3,(H,17,18,19)