(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)propanoic acid (4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl ester IUPAC Name: (4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(3-ethyl-2-keto-benzimidazol-1-yl)propionic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=NC(=C4C(=C(SC4=N3)C)C)N

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=NC(=C4C(=C(SC4=N3)C)C)N

InChI

InChI=1S/C21H23N5O3S/c1-4-25-14-7-5-6-8-15(14)26(21(25)28)10-9-17(27)29-11-16-23-19(22)18-12(2)13(3)30-20(18)24-16/h5-8H,4,9-11H2,1-3H3,(H2,22,23,24)