(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4,5-triethoxybenzoate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C)C)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C)C)N

InChI

InChI=1S/C22H27N3O5S/c1-6-27-15-9-14(10-16(28-7-2)19(15)29-8-3)22(26)30-11-17-24-20(23)18-12(4)13(5)31-21(18)25-17/h9-10H,6-8,11H2,1-5H3,(H2,23,24,25)