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

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S/c1-4-15-31-24-27-22-20-10-6-5-9-18(20)16-26(12-7-8-13-26)21(22)23(29)28(24)19-11-14-30-25(2,3)17-19/h1,5-6,9-10,19H,7-8,11-17H2,2-3H3