3-(3-methylbutyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isopentyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-isoamyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H29N3O2S/c1-18(2)13-16-28-24(30)21-7-3-4-8-22(21)26-25(28)31-17-19-9-11-20(12-10-19)23(29)27-14-5-6-15-27/h3-4,7-12,18H,5-6,13-17H2,1-2H3