methyl 2-[2-(4-azanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-azanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-amino-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(4-amino-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-amino-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=NC(=NC(=C12)N)SCC(=O)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(OC2=NC(=NC(=C12)N)SCC(=O)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C18H18N4O4S/c1-9-10(2)26-16-14(9)15(19)21-18(22-16)27-8-13(23)20-12-7-5-4-6-11(12)17(24)25-3/h4-7H,8H2,1-3H3,(H,20,23)(H2,19,21,22)