1-cyclopropyl-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one

Systemtic Name: 1-cyclopropyl-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-cyclopropyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-cyclopropyl-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-cyclopropyl-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-cyclopropyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C16H18N3O2S+ MolecularWeight: 316.39802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CC[NH2+]3)O

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC=CC=C4CC[NH2+]3)O

InChI

InChI=1S/C16H17N3O2S/c20-14-12(15(21)19(10-5-6-10)16(22)18-14)13-11-4-2-1-3-9(11)7-8-17-13/h1-4,10,13,17,21H,5-8H2,(H,18,20,22)/p+1/t13-/m0/s1