2,2-bis(methoxymethyl)-3-oxidanyl-4-(6-oxidanylidenepyrimidin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-(6-oxidanylidenepyrimidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(6-oxopyrimidin-1-yl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(6-oxo-1-pyrimidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(6-oxopyrimidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(6-ketopyrimidin-1-yl)-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=NC=CC3=O)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=NC=CC3=O)O)COC

InChI

InChI=1S/C18H19N3O5/c1-24-9-18(10-25-2)17(23)16(21-11-20-6-5-15(21)22)13-7-12(8-19)3-4-14(13)26-18/h3-7,11,16-17,23H,9-10H2,1-2H3