3-methyl-2-methylsulfanyl-7-[[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-methylsulfanyl-7-[[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]quinazolin-4-one Openeye Name: 3-methyl-2-methylsulfanyl-7-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]quinazolin-4-one CAS Name: 3-methyl-2-(methylthio)-7-[oxo-[8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decan-3-yl]methyl]-4-quinazolinone IUPAC Name: 3-methyl-2-methylsulfanyl-7-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]quinazolin-4-one Traditional Name: 3-methyl-2-(methylthio)-7-[8-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]quinazolin-4-one Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4(C3)CCN(CC4)C(=O)C#CC5=CC=CC=C5)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4(C3)CCN(CC4)C(=O)C#CC5=CC=CC=C5)N=C1SC

InChI

InChI=1S/C28H28N4O3S/c1-30-26(35)22-10-9-21(18-23(22)29-27(30)36-2)25(34)32-17-14-28(19-32)12-15-31(16-13-28)24(33)11-8-20-6-4-3-5-7-20/h3-7,9-10,18H,12-17,19H2,1-2H3