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

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC)C

InChI

InChI=1S/C21H25N3O2S/c1-5-11-24-20(26)16-9-7-8-10-18(16)22-21(24)27-13-19(25)17-12-14(3)23(6-2)15(17)4/h7-10,12H,5-6,11,13H2,1-4H3