4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

InChI

InChI=1S/C16H17N3O4S/c20-13-3-1-6-18(13)7-2-8-19-14(21)11-5-4-10(15(22)23)9-12(11)17-16(19)24/h4-5,9H,1-3,6-8H2,(H,17,24)(H,22,23)