2-[[(3,4-dimethoxyphenyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(3,4-dimethoxyphenyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,4-dimethoxyanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,4-dimethoxyanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,4-dimethoxyanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dimethoxyanilino)methyl]-6-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=C(C=C(C=C1)NCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)OC

InChI

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