2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-[4-(1-adamantyl)piperazino]-2-keto-ethyl]thio]-1H-quinazolin-4-one Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H30N4O2S/c29-21(15-31-23-25-20-4-2-1-3-19(20)22(30)26-23)27-5-7-28(8-6-27)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18H,5-15H2,(H,25,26,30)