4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]butanoate IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Traditional Name: 4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butyrate Formula: C18H18N3O4S- MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCC(=O)[O-])OC

InChI

InChI=1S/C18H19N3O4S/c1-24-13-6-5-11(8-14(13)25-2)12-9-26-18-16(12)17(20-10-21-18)19-7-3-4-15(22)23/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)(H,19,20,21)/p-1