3-[5-(4-ethylphenyl)-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[5-(4-ethylphenyl)-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-ethylphenyl)-2-isopropyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-ethylphenyl)-4-oxo-2-propan-2-yl-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-ethylphenyl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-ethylphenyl)-2-isopropyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C(C)C)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C(C)C)CCC(=O)[O-]

InChI

InChI=1S/C20H22N2O3S/c1-4-13-5-7-14(8-6-13)15-11-26-19-17(15)20(25)22(10-9-16(23)24)18(21-19)12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,24)/p-1