4-oxidanylidene-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-(3-isopropoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-(3-isopropoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

InChI

InChI=1S/C15H18N2O4S/c1-9(2)21-7-3-6-17-13(18)11-5-4-10(14(19)20)8-12(11)16-15(17)22/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,22)(H,19,20)