5,5-diethyl-2-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: 5,5-diethyl-2-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 2-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,5-diethyl-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5,5-diethyl-2-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 5,5-diethyl-2-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 2-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]-5,5-diethyl-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)CSC4=NC5=CC=CC=C5C(=O)N4CC=C)CC

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)CSC4=NC5=CC=CC=C5C(=O)N4CC=C)CC

InChI

InChI=1S/C28H28N4O2S/c1-4-15-32-26(34)20-13-9-10-14-21(20)29-27(32)35-17-22-30-24-19-12-8-7-11-18(19)16-28(5-2,6-3)23(24)25(33)31-22/h4,7-14H,1,5-6,15-17H2,2-3H3,(H,30,31,33)