2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]methylthio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)methylthio]-4,5,6-trimethyl-nicotinamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=C(C(=C4C(=O)N)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=C(C(=C4C(=O)N)C)C)C

InChI

InChI=1S/C26H26N4O3S/c1-5-33-19-12-10-18(11-13-19)30-22(29-21-9-7-6-8-20(21)26(30)32)14-34-25-23(24(27)31)16(3)15(2)17(4)28-25/h6-13H,5,14H2,1-4H3,(H2,27,31)