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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoate Openeye Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propanoate IUPAC Name: 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]propionate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCC(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NCCC(=O)[O-])C

InChI

InChI=1S/C18H19N3O3S/c1-3-24-13-6-4-12(5-7-13)15-11(2)25-18-16(15)17(20-10-21-18)19-9-8-14(22)23/h4-7,10H,3,8-9H2,1-2H3,(H,22,23)(H,19,20,21)/p-1