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

Systemtic Name: (3S)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-4-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-4-(2,4-diketopyrimidin-1-yl)-3-hydroxy-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)N3C=CC(=O)NC3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=O)NC3=O)O)C

InChI

InChI=1S/C16H15N3O4/c1-16(2)14(21)13(19-6-5-12(20)18-15(19)22)10-7-9(8-17)3-4-11(10)23-16/h3-7,13-14,21H,1-2H3,(H,18,20,22)/t13?,14-/m0/s1