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

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(4-hydroxyphenyl)benzoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic 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 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O)C

InChI

InChI=1S/C22H19N3O3S/c1-12-13(2)29-21-19(12)20(23)24-18(25-21)11-28-22(27)16-5-3-14(4-6-16)15-7-9-17(26)10-8-15/h3-10,26H,11H2,1-2H3,(H2,23,24,25)