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

Systemtic Name: 1-cyano-2-[(3S,4R)-6-ethynyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine Openeye Name: 1-cyano-2-[(3S,4R)-6-ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-phenyl-guanidine CAS Name: 1-cyano-2-[(3S,4R)-6-ethynyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylguanidine IUPAC Name: 1-cyano-2-[(3S,4R)-6-ethynyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-phenylguanidine Traditional Name: 1-cyano-2-[(3S,4R)-6-ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-phenyl-guanidine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#C)N=C(NC#N)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#C)N=C(NC#N)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H20N4O2/c1-4-14-10-11-17-16(12-14)18(19(26)21(2,3)27-17)25-20(23-13-22)24-15-8-6-5-7-9-15/h1,5-12,18-19,26H,2-3H3,(H2,23,24,25)/t18-,19+/m1/s1