N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N'-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)ethyl]ethane-1,2-diamine

Systemtic Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N'-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)ethyl]ethane-1,2-diamine Openeye Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-N'-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)ethyl]ethane-1,2-diamine CAS Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-N'-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]ethyl]ethane-1,2-diamine IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N'-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethyl]ethane-1,2-diamine Traditional Name: coumaran-5-ylmethyl-[2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)ethylamino]ethyl]amine Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)NCCNCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)NCCNCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H26N6O/c1-15-11-19(26-21(25-15)27-9-8-23-14-27)16(2)24-7-6-22-13-17-3-4-20-18(12-17)5-10-28-20/h3-4,8-9,11-12,14,16,22,24H,5-7,10,13H2,1-2H3