ethyl 4-azanyl-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC=C(C(=N3)N)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC=C(C(=N3)N)C(=O)OCC

InChI

InChI=1S/C19H23N3O4S/c1-4-24-15-7-12-6-11(3)26-16(12)8-13(15)10-27-19-21-9-14(17(20)22-19)18(23)25-5-2/h7-9,11H,4-6,10H2,1-3H3,(H2,20,21,22)