7-chloranyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C

InChI

InChI=1S/C21H24ClN3O3S/c1-5-24-13(2)10-17(14(24)3)19(26)12-29-21-23-18-11-15(22)6-7-16(18)20(27)25(21)8-9-28-4/h6-7,10-11H,5,8-9,12H2,1-4H3