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

Systemtic Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Openeye Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]pyridine-3-carboxamidine CAS Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-pyridinecarboximidamide IUPAC Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Traditional Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]nicotinamidine Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-28-11-21(12-29-2)19(27)18(16-8-14(9-22)5-6-17(16)30-21)26-20(25-13-23)15-4-3-7-24-10-15/h3-8,10,18-19,27H,11-12H2,1-2H3,(H,25,26)/t18-,19+/m1/s1