methyl 2-[3-oxidanylidene-1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-2-yl]acetic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H20N4O4S/c1-28-17(25)10-14-19(27)21-7-8-24(14)11-16-22-18(26)13-9-15(29-20(13)23-16)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10-11H2,1H3,(H,21,27)(H,22,23,26)