6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate

Systemtic Name: 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate Openeye Name: 6-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate CAS Name: 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate IUPAC Name: 6-(7,7-dimethyl-2-phenyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate Traditional Name: 6-(7,7-dimethyl-2-phenyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl)hexanoate Formula: C21H25N2O3S- MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=S)N=C(N2CCCCCC(=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=S)N=C(N2CCCCCC(=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3S/c1-21(2)13-17-16(14-26-21)20(27)22-19(15-9-5-3-6-10-15)23(17)12-8-4-7-11-18(24)25/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H,24,25)/p-1