methyl 4-[3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-5-yl]sulfanylbutanoate

Systemtic Name: methyl 4-[3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-5-yl]sulfanylbutanoate Openeye Name: methyl 4-[1-isobutyl-3-methyl-6-(1-naphthylmethyl)-2,4-dioxo-thieno[2,3-d]pyrimidin-5-yl]sulfanylbutanoate CAS Name: 4-[[3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-5-thieno[2,3-d]pyrimidinyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2,4-dioxothieno[2,3-d]pyrimidin-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-isobutyl-2,4-diketo-3-methyl-6-(1-naphthylmethyl)thieno[2,3-d]pyrimidin-5-yl]thio]butyric acid methyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SCCCC(=O)OC)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SCCCC(=O)OC)C(=O)N(C1=O)C

InChI

InChI=1S/C27H30N2O4S2/c1-17(2)16-29-26-23(25(31)28(3)27(29)32)24(34-14-8-13-22(30)33-4)21(35-26)15-19-11-7-10-18-9-5-6-12-20(18)19/h5-7,9-12,17H,8,13-16H2,1-4H3