azepan-1-yl-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C23H27N5OS MolecularWeight: 421.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCCCCC4)C5CC5

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCCCCC4)C5CC5

InChI

InChI=1S/C23H27N5OS/c1-15-13-18(16(2)30-15)20-9-10-24-23(26-20)28-21(17-7-8-17)19(14-25-28)22(29)27-11-5-3-4-6-12-27/h9-10,13-14,17H,3-8,11-12H2,1-2H3