1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC3=CC=CS3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC3=CC=CS3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H32N4O2S/c1-4-24-23(17-20-8-10-21(32-3)11-9-20)26(28-19(2)27-24)30-13-6-12-29(14-15-30)25(31)18-22-7-5-16-33-22/h5,7-11,16H,4,6,12-15,17-18H2,1-3H3