2-[[(3,5-dimethoxyphenyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(3,5-dimethoxyphenyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,5-dimethoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,5-dimethoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,5-dimethoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,5-dimethoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC

InChI

InChI=1S/C21H19N3O3S/c1-26-15-8-14(9-16(10-15)27-2)22-11-18-23-20(25)19-17(12-28-21(19)24-18)13-6-4-3-5-7-13/h3-10,12,22H,11H2,1-2H3,(H,23,24,25)