2-cyclohexylsulfanyl-6-iodanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-cyclohexylsulfanyl-6-iodanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-cyclohexylsulfanyl-6-iodo-quinazolin-4-one CAS Name: 2-(cyclohexylthio)-6-iodo-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-cyclohexylsulfanyl-6-iodoquinazolin-4-one Traditional Name: 3-benzyl-2-(cyclohexylthio)-6-iodo-quinazolin-4-one Formula: C21H21IN2OS MolecularWeight: 476.37371

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H21IN2OS/c22-16-11-12-19-18(13-16)20(25)24(14-15-7-3-1-4-8-15)21(23-19)26-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2