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

Systemtic Name: 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]butanoate Openeye Name: 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]butanoate CAS Name: 4-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]butanoate IUPAC Name: 4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate Traditional Name: 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]butyrate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NCCCC(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NCCCC(=O)[O-]

InChI

InChI=1S/C17H17N3O2S/c1-11-19-16(18-9-5-8-14(21)22)15-13(10-23-17(15)20-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,21,22)(H,18,19,20)/p-1