6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-4-oxidanylidene-6-pyrrol-1-yl-2-sulfanylidene-pyrimidin-5-yl)-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-4-oxidanylidene-6-pyrrol-1-yl-2-sulfanylidene-pyrimidin-5-yl)-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-2-thioxo-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-1-methyl-5-[1-methyl-4-oxo-6-(1-pyrrolyl)-2-sulfanylidene-5-pyrimidinyl]-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-sulfanylidenepyrimidin-5-yl)-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-keto-1-methyl-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-6-(4-methoxyphenyl)-1-methyl-2-thioxo-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C23H20N6O3S2 MolecularWeight: 492.5733

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(N2)C3=CC=C(C=C3)OC)C4=C(N(C(=S)NC4=O)C)N5C=CC=C5)C(=O)NC1=S

Isomeric SMILES

CN1C2=C(C(=C(N2)C3=CC=C(C=C3)OC)C4=C(N(C(=S)NC4=O)C)N5C=CC=C5)C(=O)NC1=S

InChI

InChI=1S/C23H20N6O3S2/c1-27-18-15(19(30)25-22(27)33)14(17(24-18)12-6-8-13(32-3)9-7-12)16-20(31)26-23(34)28(2)21(16)29-10-4-5-11-29/h4-11,24H,1-3H3,(H,25,30,33)(H,26,31,34)