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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(C(C)C)O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(C(C)C)O)C(=O)OC(C)C

InChI

InChI=1S/C20H29N3O4S/c1-7-8-23(9-14(24)11(2)3)10-15-21-18(25)16-13(6)17(28-19(16)22-15)20(26)27-12(4)5/h7,11-12,14,24H,1,8-10H2,2-6H3,(H,21,22,25)