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

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H34N2O3S MolecularWeight: 514.67826

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C31H34N2O3S/c1-30(2)19-23(14-17-36-30)33-28(35)26-27(32-29(33)37-20-25(34)21-10-4-3-5-11-21)24-13-7-6-12-22(24)18-31(26)15-8-9-16-31/h3-7,10-13,23H,8-9,14-20H2,1-2H3