[4-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidin-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidin-5-yl]-morpholin-4-yl-methanone Openeye Name: [2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)pyrimidin-5-yl]-morpholino-methanone CAS Name: [4-(3,4-dimethoxyphenyl)-2-(phenylmethylthio)-5-pyrimidinyl]-(4-morpholinyl)methanone IUPAC Name: [2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone Traditional Name: [2-(benzylthio)-4-(3,4-dimethoxyphenyl)pyrimidin-5-yl]-morpholino-methanone Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2C(=O)N3CCOCC3)SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2C(=O)N3CCOCC3)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H25N3O4S/c1-29-20-9-8-18(14-21(20)30-2)22-19(23(28)27-10-12-31-13-11-27)15-25-24(26-22)32-16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3