1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-pyrimidinone IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O

Isomeric SMILES

C1CCC(=CC1)CCN2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O

InChI

InChI=1S/C21H25N3O2S/c25-19-17(18-16-9-5-4-8-15(16)10-12-22-18)20(26)24(21(27)23-19)13-11-14-6-2-1-3-7-14/h4-6,8-9,18,22,26H,1-3,7,10-13H2,(H,23,25,27)