N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(2-morpholino-3-pyridyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[(2-morpholino-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)NC1=S

InChI

InChI=1S/C22H23N5O3S/c1-2-8-27-21(29)17-6-5-15(13-18(17)25-22(27)31)20(28)24-14-16-4-3-7-23-19(16)26-9-11-30-12-10-26/h2-7,13H,1,8-12,14H2,(H,24,28)(H,25,31)