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

Systemtic Name: 3-methyl-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-N-[(2-morpholino-3-pyridyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[(2-morpholino-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)NC1=S

InChI

InChI=1S/C20H21N5O3S/c1-24-19(27)15-5-4-13(11-16(15)23-20(24)29)18(26)22-12-14-3-2-6-21-17(14)25-7-9-28-10-8-25/h2-6,11H,7-10,12H2,1H3,(H,22,26)(H,23,29)