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4-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid

4-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid

Systemtic Name:4-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
Openeye Name:4-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CAS Name:4-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid
IUPAC Name:4-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
Traditional Name:4-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
Formula: C18H17N3O4S
MolecularWeight: 371.41028
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(=O)O)C(=O)OC(C)C


Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(=O)O)C(=O)OC(C)C


InChI

InChI=1S/C18H17N3O4S/c1-9(2)25-18(24)14-10(3)13-15(19-8-20-16(13)26-14)21-12-6-4-11(5-7-12)17(22)23/h4-9H,1-3H3,(H,22,23)(H,19,20,21)


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