N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3-morpholinopropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(3-morpholinopropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCOCC3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCOCC3)NC1=S

InChI

InChI=1S/C19H24N4O3S/c1-2-7-23-18(25)15-5-4-14(13-16(15)21-19(23)27)17(24)20-6-3-8-22-9-11-26-12-10-22/h2,4-5,13H,1,3,6-12H2,(H,20,24)(H,21,27)