2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]-1-piperidino-ethanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCCC4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCCC4)C

InChI

InChI=1S/C22H27N3O2S/c1-22(2)13-18-17(14-27-22)21(24-20(23-18)16-9-5-3-6-10-16)28-15-19(26)25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3