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

Systemtic Name: N-cyano-N'-[(3S,4R)-6-cyano-2-methyl-3-oxidanyl-2-propyl-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Openeye Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-propyl-chroman-4-yl]pyridine-3-carboxamidine CAS Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-propyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-pyridinecarboximidamide IUPAC Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-propyl-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Traditional Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-propyl-chroman-4-yl]nicotinamidine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(C3=CN=CC=C3)NC#N)O)C

Isomeric SMILES

CCCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(C3=CN=CC=C3)NC#N)O)C

InChI

InChI=1S/C21H21N5O2/c1-3-8-21(2)19(27)18(16-10-14(11-22)6-7-17(16)28-21)26-20(25-13-23)15-5-4-9-24-12-15/h4-7,9-10,12,18-19,27H,3,8H2,1-2H3,(H,25,26)/t18-,19+,21?/m1/s1