ethyl 5-azanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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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)OCCCO4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCCO4)N

InChI

InChI=1S/C19H20N4O4S2/c1-3-25-18(24)15-14(20)13-16(22-19(28-2)23-17(13)29-15)21-10-5-6-11-12(9-10)27-8-4-7-26-11/h5-6,9H,3-4,7-8,20H2,1-2H3,(H,21,22,23)