1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]propan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C21H24N4O2S/c1-6-22-20-15-9-7-8-10-16(15)24-21(25-20)28-14(5)19(27)18-11(2)17(13(4)26)12(3)23-18/h7-10,14,23H,6H2,1-5H3,(H,22,24,25)