N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-methyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-methyl-hexanamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(C)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(C)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H25N5O4S/c1-14-12-17(24-30-14)23-18(27)13-25(2)19(28)10-4-3-7-11-26-20(29)15-8-5-6-9-16(15)22-21(26)31/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,22,31)(H,23,24,27)