2-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-keto-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C21H21N3O3S2/c1-4-11(2)9-15-12(3)29-18-16(15)17(25)22-21(23-18)28-10-24-19(26)13-7-5-6-8-14(13)20(24)27/h5-8,11H,4,9-10H2,1-3H3,(H,22,23,25)