5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C14H13N3O2S/c18-12-11(13(19)16-14(20)15-12)8-17-6-5-9-3-1-2-4-10(9)7-17/h1-4,8H,5-7H2,(H2,15,16,18,19,20)