2-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)-[1]benzothiolo[2,3-d]pyrimidine-7-carbaldehyde

Systemtic Name: 2-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)-[1]benzothiolo[2,3-d]pyrimidine-7-carbaldehyde Openeye Name: 3-benzyl-2-(4-methoxyphenyl)-4-oxo-benzothiopheno[2,3-d]pyrimidine-7-carbaldehyde CAS Name: 2-(4-methoxyphenyl)-4-oxo-3-(phenylmethyl)-[1]benzothiolo[2,3-d]pyrimidine-7-carboxaldehyde IUPAC Name: 3-benzyl-2-(4-methoxyphenyl)-4-oxo-[1]benzothiolo[2,3-d]pyrimidine-7-carbaldehyde Traditional Name: 3-benzyl-4-keto-2-(4-methoxyphenyl)benzothiopheno[2,3-d]pyrimidine-7-carbaldehyde Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)C=C(C=C4)C=O)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)C=C(C=C4)C=O)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C25H18N2O3S/c1-30-19-10-8-18(9-11-19)23-26-24-22(20-12-7-17(15-28)13-21(20)31-24)25(29)27(23)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3