6-[2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

InChI

InChI=1S/C25H30N4O3S/c1-4-13-28-17(2)15-20(18(28)3)22(30)16-33-25-27-21-11-8-7-10-19(21)24(32)29(25)14-9-5-6-12-23(26)31/h4,7-8,10-11,15H,1,5-6,9,12-14,16H2,2-3H3,(H2,26,31)