ethyl 6-methyl-4-oxidanylidene-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-4-keto-6-methyl-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O6S/c1-3-31-22(28)18-15(2)32-21-19(18)20(27)23-17(24-21)13-25-9-11-26(12-10-25)33(29,30)14-16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3,(H,23,24,27)