6-bromanyl-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[6-keto-6-[4-(4-methoxyphenyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H29BrN4O3S MolecularWeight: 545.49176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C25H29BrN4O3S/c1-33-20-9-7-19(8-10-20)28-13-15-29(16-14-28)23(31)5-3-2-4-12-30-24(32)21-17-18(26)6-11-22(21)27-25(30)34/h6-11,17H,2-5,12-16H2,1H3,(H,27,34)