(2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-acetate CAS Name: (2S)-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-phenylacetate IUPAC Name: (2S)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylacetate Traditional Name: (2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-acetate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NC(C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N[C@@H](C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H17N3O2S/c1-13-22-19(24-18(21(25)26)15-10-6-3-7-11-15)16-12-17(27-20(16)23-13)14-8-4-2-5-9-14/h2-12,18H,1H3,(H,25,26)(H,22,23,24)/p-1/t18-/m0/s1