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

Systemtic Name: [4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4OS/c1-21-24(20-22-10-4-2-5-11-22)27(30-26(29-21)23-12-6-3-7-13-23)31-15-9-16-32(18-17-31)28(33)25-14-8-19-34-25/h2-8,10-14,19H,9,15-18,20H2,1H3