(5-methylpyrazin-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methylpyrazin-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methylpyrazin-2-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-2-pyrazinyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methylpyrazin-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-methylpyrazin-2-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C16H20N4OS/c1-13-10-18-15(11-17-13)16(21)20-6-3-5-19(7-8-20)12-14-4-2-9-22-14/h2,4,9-11H,3,5-8,12H2,1H3