2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one

Systemtic Name: 2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 3-(3-isopropoxypropyl)-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methylthio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 3-(3-isopropoxypropyl)-2-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylthio]quinazolin-4-one Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC5=C(CCC5)C=C34

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC5=C(CCC5)C=C34

InChI

InChI=1S/C27H28N2O4S/c1-17(2)32-12-6-11-29-26(31)21-9-3-4-10-23(21)28-27(29)34-16-20-15-25(30)33-24-14-19-8-5-7-18(19)13-22(20)24/h3-4,9-10,13-15,17H,5-8,11-12,16H2,1-2H3