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

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(amylthio)-3-(2,2-dimethyltetrahydropyran-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H40N2O2S MolecularWeight: 480.7051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H40N2O2S/c1-4-5-11-18-34-27-30-25-23-13-8-7-12-21(23)19-29(15-9-6-10-16-29)24(25)26(32)31(27)22-14-17-33-28(2,3)20-22/h7-8,12-13,22H,4-6,9-11,14-20H2,1-3H3