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

Systemtic Name: 1,3-diethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CNC3=C2C=CC=N3)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CNC3=C2C=CC=N3)C(=O)N(C1=S)CC

InChI

InChI=1S/C16H16N4O2S/c1-3-19-14(21)12(15(22)20(4-2)16(19)23)8-10-9-18-13-11(10)6-5-7-17-13/h5-9H,3-4H2,1-2H3,(H,17,18)