(5E)-1-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CNC3=C2C=CC=N3)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CNC3=C2C=CC=N3)/C(=O)NC1=S

InChI

InChI=1S/C14H12N4O2S/c1-2-18-13(20)10(12(19)17-14(18)21)6-8-7-16-11-9(8)4-3-5-15-11/h3-7H,2H2,1H3,(H,15,16)(H,17,19,21)/b10-6+