6-[[3-(2,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[3-(2,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[3-(2,4-dimethylphenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=O)N(C(=O)N4C)C)SC5=C3CCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=O)N(C(=O)N4C)C)SC5=C3CCCC5)C

InChI

InChI=1S/C25H26N4O3S2/c1-14-9-10-18(15(2)11-14)29-23(31)21-17-7-5-6-8-19(17)34-22(21)26-24(29)33-13-16-12-20(30)28(4)25(32)27(16)3/h9-12H,5-8,13H2,1-4H3