(3S,4R)-2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyrimidin-4-yl)oxy]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyrimidin-4-yl)oxy]-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-[(6-keto-1H-pyrimidin-4-yl)oxy]-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)NC=N3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)NC=N3)O)C

InChI

InChI=1S/C16H15N3O4/c1-16(2)15(21)14(22-13-6-12(20)18-8-19-13)10-5-9(7-17)3-4-11(10)23-16/h3-6,8,14-15,21H,1-2H3,(H,18,19,20)/t14-,15+/m1/s1