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

Systemtic Name: 1-cyano-2-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(2-methylbutan-2-yl)guanidine Openeye Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(1,1-dimethylpropyl)guanidine CAS Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(2-methylbutan-2-yl)guanidine IUPAC Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(2-methylbutan-2-yl)guanidine Traditional Name: 1-tert-amyl-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)NC#N

Isomeric SMILES

CCC(C)(C)NC(=N[C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)NC#N

InChI

InChI=1S/C19H25N5O2/c1-6-18(2,3)24-17(22-11-21)23-15-13-9-12(10-20)7-8-14(13)26-19(4,5)16(15)25/h7-9,15-16,25H,6H2,1-5H3,(H2,22,23,24)/t15-,16+/m1/s1