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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)NC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O)NC#N

InChI

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