3-[(5-methyl-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoate

Systemtic Name: 3-[(5-methyl-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoate Openeye Name: 3-[(6-benzyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoate CAS Name: 3-[(5-methyl-6-phenylmethoxycarbonyl-4-thieno[2,3-d]pyrimidinyl)amino]propanoate IUPAC Name: 3-[(5-methyl-6-phenylmethoxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate Traditional Name: 3-[(6-carbobenzoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]propionate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC(=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC(=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S/c1-11-14-16(19-8-7-13(22)23)20-10-21-17(14)26-15(11)18(24)25-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,22,23)(H,19,20,21)/p-1