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

Systemtic Name: methyl 4-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-benzamido-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-14-15(2)31-22-19(14)20(25-21(28)17-7-5-4-6-8-17)26-24(27-22)32-13-16-9-11-18(12-10-16)23(29)30-3/h4-12H,13H2,1-3H3,(H,25,26,27,28)