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

Systemtic Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C22H25N3O2S/c1-4-11-24-21(27)17-7-5-6-8-19(17)23-22(24)28-13-20(26)18-12-14(2)25(15(18)3)16-9-10-16/h5-8,12,16H,4,9-11,13H2,1-3H3