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

Systemtic Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]propane-1,2-diol Openeye Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]propane-1,2-diol CAS Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]propane-1,2-diol IUPAC Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]propane-1,2-diol Traditional Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]propane-1,2-diol Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-18(2)8-15-14(10-23-18)17(24-11-13(22)9-21)20-16(19-15)12-6-4-3-5-7-12/h3-7,13,21-22H,8-11H2,1-2H3