N-(6-azanyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-N-(4-tert-butylphenyl)thiophene-2-carboxamide

Systemtic Name: N-(6-azanyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-N-(4-tert-butylphenyl)thiophene-2-carboxamide Openeye Name: N-(6-amino-2-isopropylsulfanyl-pyrimidin-4-yl)-N-(4-tert-butylphenyl)thiophene-2-carboxamide CAS Name: N-[6-amino-2-(propan-2-ylthio)-4-pyrimidinyl]-N-(4-tert-butylphenyl)-2-thiophenecarboxamide IUPAC Name: N-(6-amino-2-propan-2-ylsulfanylpyrimidin-4-yl)-N-(4-tert-butylphenyl)thiophene-2-carboxamide Traditional Name: N-[6-amino-2-(isopropylthio)pyrimidin-4-yl]-N-(4-tert-butylphenyl)thiophene-2-carboxamide Formula: C22H26N4OS2 MolecularWeight: 426.59804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=CC(=N1)N(C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CS3)N

Isomeric SMILES

CC(C)SC1=NC(=CC(=N1)N(C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CS3)N

InChI

InChI=1S/C22H26N4OS2/c1-14(2)29-21-24-18(23)13-19(25-21)26(20(27)17-7-6-12-28-17)16-10-8-15(9-11-16)22(3,4)5/h6-14H,1-5H3,(H2,23,24,25)