3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid

Systemtic Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid Openeye Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid CAS Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid IUPAC Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid Traditional Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2-pyrindan-4-carboxylic acid Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C3CCCC3=C2C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C3CCCC3=C2C(=O)O

InChI

InChI=1S/C16H20N4O2S/c1-10-13(20-9-19-10)8-23-6-5-17-15-14(16(21)22)12-4-2-3-11(12)7-18-15/h7,9H,2-6,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)