2,2-bis(methoxymethyl)-3-oxidanyl-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(4-oxo-1H-quinazolin-2-yl)thio]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[(4-keto-1H-quinazolin-2-yl)thio]-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NC(=O)C4=CC=CC=C4N3)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NC(=O)C4=CC=CC=C4N3)O)COC

InChI

InChI=1S/C22H21N3O5S/c1-28-11-22(12-29-2)19(26)18(15-9-13(10-23)7-8-17(15)30-22)31-21-24-16-6-4-3-5-14(16)20(27)25-21/h3-9,18-19,26H,11-12H2,1-2H3,(H,24,25,27)