1-cyano-3-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-cyano-3-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 1-cyano-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-3-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=NCC3=CC=CC=C3)NC#N)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=NCC3=CC=CC=C3)NC#N)O)C

InChI

InChI=1S/C21H21N5O2/c1-21(2)19(27)18(16-10-15(11-22)8-9-17(16)28-21)26-20(25-13-23)24-12-14-6-4-3-5-7-14/h3-10,18-19,27H,12H2,1-2H3,(H2,24,25,26)/t18-,19+/m1/s1