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

Systemtic Name: [4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C23H26N4OS MolecularWeight: 406.54374

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4OS/c1-17-20(16-19-8-4-3-5-9-19)22(25-18(2)24-17)26-11-7-12-27(14-13-26)23(28)21-10-6-15-29-21/h3-6,8-10,15H,7,11-14,16H2,1-2H3