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

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic 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-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C)C)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C)C)N)OCC

InChI

InChI=1S/C21H25N3O4S/c1-5-9-27-15-8-7-14(10-16(15)26-6-2)21(25)28-11-17-23-19(22)18-12(3)13(4)29-20(18)24-17/h7-8,10H,5-6,9,11H2,1-4H3,(H2,22,23,24)