N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-pyrimidylthio)propionamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=NC=CC=N3)OC

InChI

InChI=1S/C18H18N4O3S2/c1-24-14-5-4-12(10-15(14)25-2)13-11-27-18(21-13)22-16(23)6-9-26-17-19-7-3-8-20-17/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,21,22,23)