1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]ethanone Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C26H34N4O2S/c1-18(2)9-10-30-19(3)15-22(20(30)4)24(31)17-33-26-21-7-5-6-8-23(21)27-25(28-26)16-29-11-13-32-14-12-29/h5-8,15,18H,9-14,16-17H2,1-4H3