N'-[(3S,4R)-6-bromanyl-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-N-cyano-pyridine-3-carboximidamide

Systemtic Name: N'-[(3S,4R)-6-bromanyl-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-N-cyano-pyridine-3-carboximidamide Openeye Name: N'-[(3S,4R)-6-bromo-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-N-cyano-pyridine-3-carboxamidine CAS Name: N'-[(3S,4R)-6-bromo-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-N-cyano-3-pyridinecarboximidamide IUPAC Name: N'-[(3S,4R)-6-bromo-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]-N-cyanopyridine-3-carboximidamide Traditional Name: N'-[(3S,4R)-6-bromo-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-N-cyano-nicotinamidine Formula: C20H21BrN4O4 MolecularWeight: 461.30914

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)Br)N=C(C3=CN=CC=C3)NC#N)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)Br)N=C(C3=CN=CC=C3)NC#N)O)COC

InChI

InChI=1S/C20H21BrN4O4/c1-27-10-20(11-28-2)18(26)17(15-8-14(21)5-6-16(15)29-20)25-19(24-12-22)13-4-3-7-23-9-13/h3-9,17-18,26H,10-11H2,1-2H3,(H,24,25)/t17-,18+/m1/s1