1-cyano-3-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(pyridin-4-ylmethyl)guanidine

Systemtic Name: 1-cyano-3-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(pyridin-4-ylmethyl)guanidine Openeye Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-(4-pyridylmethyl)guanidine CAS Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(pyridin-4-ylmethyl)guanidine IUPAC Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(pyridin-4-ylmethyl)guanidine Traditional Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-(4-pyridylmethyl)guanidine Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=NCC3=CC=NC=C3)NC#N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=NCC3=CC=NC=C3)NC#N)O)C

InChI

InChI=1S/C20H20N6O2/c1-20(2)18(27)17(15-9-14(10-21)3-4-16(15)28-20)26-19(25-12-22)24-11-13-5-7-23-8-6-13/h3-9,17-18,27H,11H2,1-2H3,(H2,24,25,26)