(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-azanyl-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-azanyl-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-amino-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2,4-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=N1)C)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)N

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)N

InChI

InChI=1S/C18H16ClN3O4S/c1-8-13-14(20)16(27-17(13)22-9(2)21-8)18(23)25-6-11-4-12(19)3-10-5-24-7-26-15(10)11/h3-4H,5-7,20H2,1-2H3