(3S)-2,2-dimethyl-3-oxidanyl-4-(6-oxidanylidenepyrimidin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(6-oxidanylidenepyrimidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(6-oxopyrimidin-1-yl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(6-oxo-1-pyrimidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(6-oxopyrimidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-(6-ketopyrimidin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=NC=CC3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C=NC=CC3=O)O)C

InChI

InChI=1S/C16H15N3O3/c1-16(2)15(21)14(19-9-18-6-5-13(19)20)11-7-10(8-17)3-4-12(11)22-16/h3-7,9,14-15,21H,1-2H3/t14?,15-/m0/s1