pentyl 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]ethanoate

Systemtic Name: pentyl 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: pentyl 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]acetic acid amyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)CSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-4-5-9-12-26-19(25)15-28-21-17-14-27-22(2,3)13-18(17)23-20(24-21)16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-15H2,1-3H3