3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-(2-pyridylmethylsulfanyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-cyclohexyl-7-[oxo(1-pyrrolidinyl)methyl]-2-(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-(2-pyridylmethylthio)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=CC=N5

InChI

InChI=1S/C25H28N4O2S/c30-23(28-14-6-7-15-28)18-11-12-21-22(16-18)27-25(32-17-19-8-4-5-13-26-19)29(24(21)31)20-9-2-1-3-10-20/h4-5,8,11-13,16,20H,1-3,6-7,9-10,14-15,17H2