ethyl 4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C19H19N3O5S/c1-3-24-19(23)15-10(2)27-18-16(15)17(20)21-14(22-18)9-28-11-4-5-12-13(8-11)26-7-6-25-12/h4-5,8H,3,6-7,9H2,1-2H3,(H2,20,21,22)