1-cyano-2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]guanidine

Systemtic Name: 1-cyano-2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]guanidine Openeye Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(3-methylisoxazol-5-yl)phenyl]guanidine CAS Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[3-(3-methyl-5-isoxazolyl)phenyl]guanidine IUPAC Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]guanidine Traditional Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(3-methylisoxazol-5-yl)phenyl]guanidine Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=CC=C2)NC(=NC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O)NC#N

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=CC=C2)NC(=NC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O)NC#N

InChI

InChI=1S/C24H22N6O3/c1-14-9-20(33-30-14)16-5-4-6-17(11-16)28-23(27-13-26)29-21-18-10-15(12-25)7-8-19(18)32-24(2,3)22(21)31/h4-11,21-22,31H,1-3H3,(H2,27,28,29)