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

Systemtic Name: [1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-(methoxymethyl)-4-pyrazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-pyrrolidino-methanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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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)N4CCCC4)COC

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCCC4)COC

InChI

InChI=1S/C20H23N5O2S/c1-13-10-15(14(2)28-13)17-6-7-21-20(23-17)25-18(12-27-3)16(11-22-25)19(26)24-8-4-5-9-24/h6-7,10-11H,4-5,8-9,12H2,1-3H3