2,2,3-trimethyl-3-oxidanyl-4-(2-oxidanylidenepyrimidin-1-yl)-4H-chromene-6-carbonitrile

Systemtic Name: 2,2,3-trimethyl-3-oxidanyl-4-(2-oxidanylidenepyrimidin-1-yl)-4H-chromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2,3-trimethyl-4-(2-oxopyrimidin-1-yl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyrimidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2,3-trimethyl-4-(2-oxopyrimidin-1-yl)-4H-chromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(2-ketopyrimidin-1-yl)-2,2,3-trimethyl-chroman-6-carbonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=NC3=O)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=NC3=O)(C)O)C

InChI

InChI=1S/C17H17N3O3/c1-16(2)17(3,22)14(20-8-4-7-19-15(20)21)12-9-11(10-18)5-6-13(12)23-16/h4-9,14,22H,1-3H3