methyl 3-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(4-benzamido-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC4=C(OC=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC4=C(OC=C4)C(=O)OC)C

InChI

InChI=1S/C22H19N3O5S/c1-12-13(2)30-20-16(12)18(23-19(26)14-7-5-4-6-8-14)24-22(25-20)31-11-15-9-10-29-17(15)21(27)28-3/h4-10H,11H2,1-3H3,(H,23,24,25,26)