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

Systemtic Name: 3-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate Openeye Name: 3-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoate CAS Name: 3-[[5-(4-chlorophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]-methylamino]propanoate IUPAC Name: 3-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propanoate Traditional Name: 3-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propionate Formula: C17H15ClN3O2S- MolecularWeight: 360.8379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N(C)CCC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N(C)CCC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-10-14(11-3-5-12(18)6-4-11)15-16(19-9-20-17(15)24-10)21(2)8-7-13(22)23/h3-6,9H,7-8H2,1-2H3,(H,22,23)/p-1