2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-(2,4-dimethoxyphenyl)pyridin-2-yl]guanidine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-(2,4-dimethoxyphenyl)pyridin-2-yl]guanidine Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-(2,4-dimethoxyphenyl)-2-pyridyl]guanidine CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]guanidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-(2,4-dimethoxyphenyl)pyridin-2-yl]guanidine Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-(2,4-dimethoxyphenyl)-2-pyridyl]guanidine Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N=C(N)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N=C(N)N)OC

InChI

InChI=1S/C22H19N5O4/c1-28-13-4-5-14(19(8-13)29-2)17-9-15(16(10-23)21(26-17)27-22(24)25)12-3-6-18-20(7-12)31-11-30-18/h3-9H,11H2,1-2H3,(H4,24,25,26,27)