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

Systemtic Name: azepan-1-yl-[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-(methoxymethyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2S/c1-15-12-17(16(2)30-15)19-8-9-23-22(25-19)27-20(14-29-3)18(13-24-27)21(28)26-10-6-4-5-7-11-26/h8-9,12-13H,4-7,10-11,14H2,1-3H3