N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-homoveratryl-4-[4-keto-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]quinazolin-3-yl]butyramide Formula: C28H31N5O6S MolecularWeight: 565.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H31N5O6S/c1-18-15-24(32-39-18)31-26(35)17-40-28-30-21-8-5-4-7-20(21)27(36)33(28)14-6-9-25(34)29-13-12-19-10-11-22(37-2)23(16-19)38-3/h4-5,7-8,10-11,15-16H,6,9,12-14,17H2,1-3H3,(H,29,34)(H,31,32,35)