azepan-1-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C20H23N5OS/c1-14-12-21-20(23-18(14)17-8-7-11-27-17)25-15(2)16(13-22-25)19(26)24-9-5-3-4-6-10-24/h7-8,11-13H,3-6,9-10H2,1-2H3