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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-3-prop-2-ynoxy-propyl)-propyl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-3-prop-2-ynoxy-propyl)-propyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-prop-2-ynoxypropyl)-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-3-prop-2-ynoxypropyl)-propylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-propargyloxy-propyl)-propyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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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(COCC#C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-6-8-24(10-15(25)12-28-9-7-2)11-16-22-19(26)17-14(5)18(30-20(17)23-16)21(27)29-13(3)4/h2,13,15,25H,6,8-12H2,1,3-5H3,(H,22,23,26)