N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[(5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl)methyl]-4-(2-thienyl)butanamide CAS Name: N-[[5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[[5-(5-pyrimidyl)coumaran-2-yl]methyl]-4-(2-thienyl)butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C3=CN=CN=C3)CNC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)C3=CN=CN=C3)CNC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H21N3O2S/c25-21(5-1-3-19-4-2-8-27-19)24-13-18-10-16-9-15(6-7-20(16)26-18)17-11-22-14-23-12-17/h2,4,6-9,11-12,14,18H,1,3,5,10,13H2,(H,24,25)