3-cyclohexyl-2-phenacylsulfanyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-phenacylsulfanyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-cyclohexyl-7-[oxo(1-pyrrolidinyl)methyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-(phenacylthio)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c31-24(19-9-3-1-4-10-19)18-34-27-28-23-17-20(25(32)29-15-7-8-16-29)13-14-22(23)26(33)30(27)21-11-5-2-6-12-21/h1,3-4,9-10,13-14,17,21H,2,5-8,11-12,15-16,18H2