2-heptylsulfanyl-6-iodanyl-3-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-heptylsulfanyl-6-iodanyl-3-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 2-heptylsulfanyl-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one CAS Name: 2-(heptylthio)-6-iodo-3-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-heptylsulfanyl-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-(heptylthio)-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one Formula: C22H25IN2O2S MolecularWeight: 508.41557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25IN2O2S/c1-3-4-5-6-7-14-28-22-24-20-13-8-16(23)15-19(20)21(26)25(22)17-9-11-18(27-2)12-10-17/h8-13,15H,3-7,14H2,1-2H3