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

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]butanoate IUPAC Name: 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Traditional Name: 4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butyrate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NCCCC(=O)[O-])C

InChI

InChI=1S/C18H19N3O2S/c1-11-5-6-13(8-12(11)2)14-9-24-18-16(14)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