N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-chloro-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-chloro-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-chloro-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N)C

InChI

InChI=1S/C20H21ClN6O2/c1-10-16-17(21)14(8-25-19(16)27(2)26-10)20(28)24-6-5-12-9-29-15-4-3-11(18(22)23)7-13(12)15/h3-4,7-8,12H,5-6,9H2,1-2H3,(H3,22,23)(H,24,28)