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

Systemtic Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H28N4OS MolecularWeight: 420.57032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-3-21-20(17-19-9-5-4-6-10-19)23(26-18(2)25-21)27-12-8-13-28(15-14-27)24(29)22-11-7-16-30-22/h4-7,9-11,16H,3,8,12-15,17H2,1-2H3