1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(5-quinolylmethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-(methoxymethyl)-N-methyl-N-(5-quinolinylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(5-quinolylmethyl)pyrazole-4-carboxamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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)N(C)CC4=C5C=CC=NC5=CC=C4)COC

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N(C)CC4=C5C=CC=NC5=CC=C4)COC

InChI

InChI=1S/C27H26N6O2S/c1-17-13-21(18(2)36-17)24-10-12-29-27(31-24)33-25(16-35-4)22(14-30-33)26(34)32(3)15-19-7-5-9-23-20(19)8-6-11-28-23/h5-14H,15-16H2,1-4H3