2-[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-[3-(3,3-diethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[3-(3,3-diethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[3-(3,3-diethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[[3-(3,3-diethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NNC(=C3)C)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NNC(=C3)C)OCC

InChI

InChI=1S/C21H27N5O4S/c1-4-29-19(30-5-2)10-11-26-20(28)15-8-6-7-9-16(15)22-21(26)31-13-18(27)23-17-12-14(3)24-25-17/h6-9,12,19H,4-5,10-11,13H2,1-3H3,(H2,23,24,25,27)