2,4,5-trimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2,4,5-trimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,4,5-trimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,4,5-trimethyl-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,4,5-trimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,4,5-trimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-13-18-14(2)24-15(3)25-21(18)28-19(13)20(27)22-10-9-16-11-23-26(12-16)17-7-5-4-6-8-17/h4-8,11-12H,9-10H2,1-3H3,(H,22,27)