ethyl 5-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C18H18N4O4S2/c1-3-24-17(23)14-13(19)12-15(21-18(27-2)22-16(12)28-14)20-9-4-5-10-11(8-9)26-7-6-25-10/h4-5,8H,3,6-7,19H2,1-2H3,(H,20,21,22)