ethyl 4-[5-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[5-[[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-furanyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-2-furoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C

InChI

InChI=1S/C22H24N4O5S2/c1-3-8-26-19(27)16-7-13-32-18(16)23-21(26)33-14-15-5-6-17(31-15)20(28)24-9-11-25(12-10-24)22(29)30-4-2/h3,5-7,13H,1,4,8-12,14H2,2H3