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

Systemtic Name: 1-cyano-3-[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-propan-2-yl-guanidine Openeye Name: 1-cyano-3-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-2-isopropyl-guanidine CAS Name: 1-cyano-3-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-propan-2-ylguanidine IUPAC Name: 1-cyano-3-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-propan-2-ylguanidine Traditional Name: 1-cyano-3-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-2-isopropyl-guanidine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c1-10(2)21-16(20-9-19)22-14-12-7-11(8-18)5-6-13(12)24-17(3,4)15(14)23/h5-7,10,14-15,23H,1-4H3,(H2,20,21,22)/t14-,15+/m0/s1