2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-(2,2-dimethyltetrahydropyran-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-(2,2-dimethyl-4-oxanyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-(2,2-dimethyltetrahydropyran-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H36N2O2S/c1-4-5-16-32-25-28-23-21-11-7-6-10-19(21)17-27(13-8-9-14-27)22(23)24(30)29(25)20-12-15-31-26(2,3)18-20/h6-7,10-11,20H,4-5,8-9,12-18H2,1-3H3