1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-18-22(16-20-8-4-3-5-9-20)24(26-19(2)25-18)28-12-7-11-27(13-14-28)23(29)17-21-10-6-15-30-21/h3-6,8-10,15H,7,11-14,16-17H2,1-2H3