4-[[6,7-dimethoxy-3-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[6,7-dimethoxy-3-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-[(1R)-1-(hydroxymethyl)propyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-[(2R)-1-hydroxybutan-2-yl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-[(2R)-1-hydroxybutan-2-yl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-keto-6,7-dimethoxy-3-[(1R)-1-methylolpropyl]quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=O)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)C#N)OC)OC

Isomeric SMILES

CC[C@H](CO)N1C(=O)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)C#N)OC)OC

InChI

InChI=1S/C22H23N3O4S/c1-4-16(12-26)25-21(27)17-9-19(28-2)20(29-3)10-18(17)24-22(25)30-13-15-7-5-14(11-23)6-8-15/h5-10,16,26H,4,12-13H2,1-3H3/t16-/m1/s1