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

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(amylthio)-3-(2,2-dimethyltetrahydropyran-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H38N2O2S MolecularWeight: 466.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H38N2O2S/c1-4-5-10-17-33-26-29-24-22-12-7-6-11-20(22)18-28(14-8-9-15-28)23(24)25(31)30(26)21-13-16-32-27(2,3)19-21/h6-7,11-12,21H,4-5,8-10,13-19H2,1-3H3