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

Systemtic Name: [4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CS3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CS3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N4O2S/c1-17-21(16-19-7-9-20(30-3)10-8-19)23(26-18(2)25-17)27-11-5-12-28(14-13-27)24(29)22-6-4-15-31-22/h4,6-10,15H,5,11-14,16H2,1-3H3