1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H25N3O2S/c1-14-12-18(15(2)24(14)10-7-11-26-4)20(25)13-27-21-17-8-5-6-9-19(17)22-16(3)23-21/h5-6,8-9,12H,7,10-11,13H2,1-4H3