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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-2-phenyl-ethyl)-propyl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-2-phenyl-ethyl)-propyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-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-phenylethyl)-propylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-propyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N1)CC(C3=CC=CC=C3)O

Isomeric SMILES

CCCN(CC1=NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N1)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C23H29N3O4S/c1-5-11-26(12-17(27)16-9-7-6-8-10-16)13-18-24-21(28)19-15(4)20(31-22(19)25-18)23(29)30-14(2)3/h6-10,14,17,27H,5,11-13H2,1-4H3,(H,24,25,28)