1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[4-(methylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-(methylamino)quinazolin-2-yl]thio]ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC

InChI

InChI=1S/C20H22N4OS/c1-12-10-16(13(2)24(12)14-8-9-14)18(25)11-26-20-22-17-7-5-4-6-15(17)19(21-3)23-20/h4-7,10,14H,8-9,11H2,1-3H3,(H,21,22,23)