2,2-bis(methoxymethyl)-3-oxidanyl-4-(pyrimidin-2-ylamino)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-(pyrimidin-2-ylamino)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(pyrimidin-2-ylamino)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(2-pyrimidinylamino)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(pyrimidin-2-ylamino)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(2-pyrimidylamino)chroman-6-carbonitrile Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NC=CC=N3)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NC=CC=N3)O)COC

InChI

InChI=1S/C18H20N4O4/c1-24-10-18(11-25-2)16(23)15(22-17-20-6-3-7-21-17)13-8-12(9-19)4-5-14(13)26-18/h3-8,15-16,23H,10-11H2,1-2H3,(H,20,21,22)