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

Systemtic Name: propan-2-yl 5-methyl-2-[[(2-methyl-2-oxidanyl-but-3-enyl)-propyl-amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-2-methyl-but-3-enyl)-propyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-methylbut-3-enyl)-propylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(2-hydroxy-2-methylbut-3-enyl)-propylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-2-methyl-but-3-enyl)-propyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N1)CC(C)(C=C)O

Isomeric SMILES

CCCN(CC1=NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N1)CC(C)(C=C)O

InChI

InChI=1S/C20H29N3O4S/c1-7-9-23(11-20(6,26)8-2)10-14-21-17(24)15-13(5)16(28-18(15)22-14)19(25)27-12(3)4/h8,12,26H,2,7,9-11H2,1,3-6H3,(H,21,22,24)