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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C(=N)N)C(=O)N)C4=CN=CN=C4

Isomeric SMILES

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C(=N)N)C(=O)N)C4=CN=CN=C4

InChI

InChI=1S/C22H21N5O2/c1-2-14-15(13-8-26-11-27-9-13)4-5-16(22(25)28)20(14)18-10-29-19-6-3-12(21(23)24)7-17(18)19/h3-9,11,18H,2,10H2,1H3,(H3,23,24)(H2,25,28)