2-(4-methoxyphenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 2-(4-methoxyphenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-methoxyphenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-methoxyphenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-methoxyphenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-methoxyphenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C26H20N2O3S/c1-31-19-13-11-18(12-14-19)24-27-25-22(23(29)20-9-5-6-10-21(20)32-25)26(30)28(24)16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3