methyl 2-[[(3-butanoyloxy-2-oxidanyl-propyl)-propan-2-yl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[(3-butanoyloxy-2-oxidanyl-propyl)-propan-2-yl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(3-butanoyloxy-2-hydroxy-propyl)-isopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[2-hydroxy-3-(1-oxobutoxy)propyl]-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-butanoyloxy-2-hydroxypropyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-butyryloxy-2-hydroxy-propyl)-isopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1)C(C)C)O

Isomeric SMILES

CCCC(=O)OCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1)C(C)C)O

InChI

InChI=1S/C20H29N3O6S/c1-6-7-15(25)29-10-13(24)8-23(11(2)3)9-14-21-18(26)16-12(4)17(20(27)28-5)30-19(16)22-14/h11,13,24H,6-10H2,1-5H3,(H,21,22,26)