N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-pyrimidin-5-yl-benzamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-pyrimidin-5-yl-benzamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-pyrimidin-5-yl-benzamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(5-pyrimidinyl)benzamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-pyrimidin-5-ylbenzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-(5-pyrimidyl)benzamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=C(C=C3)C4=CN=CN=C4

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=C(C=C3)C4=CN=CN=C4

InChI

InChI=1S/C22H21N5O2/c23-21(24)16-5-6-20-19(9-16)17(12-29-20)7-8-27-22(28)15-3-1-14(2-4-15)18-10-25-13-26-11-18/h1-6,9-11,13,17H,7-8,12H2,(H3,23,24)(H,27,28)