propan-2-yl 4-[2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3C=CSC3=N2)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3C=CSC3=N2)N

InChI

InChI=1S/C18H18N4O3S2/c1-10(2)25-17(24)11-3-5-12(6-4-11)20-14(23)9-27-18-21-15(19)13-7-8-26-16(13)22-18/h3-8,10H,9H2,1-2H3,(H,20,23)(H2,19,21,22)