[3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-prop-2-enyl-amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-prop-2-enyl-amino]-2-oxidanyl-propyl] butanoate Openeye Name: [3-[allyl-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-2-hydroxy-propyl] butanoate CAS Name: butanoic acid [3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-prop-2-enylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-prop-2-enylamino]-2-hydroxypropyl] butanoate Traditional Name: butyric acid [3-[allyl-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-2-hydroxy-propyl] ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-5-7-16(24)26-11-14(23)9-22(8-6-2)10-15-20-18(25)17-12(3)13(4)27-19(17)21-15/h6,14,23H,2,5,7-11H2,1,3-4H3,(H,20,21,25)