ethyl 4-[3-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC(=C3C(=C(SC3=N2)C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC(=C3C(=C(SC3=N2)C)C)N

InChI

InChI=1S/C20H22N4O3S2/c1-4-27-19(26)13-5-7-14(8-6-13)22-15(25)9-10-28-20-23-17(21)16-11(2)12(3)29-18(16)24-20/h5-8H,4,9-10H2,1-3H3,(H,22,25)(H2,21,23,24)