6-methyl-5-(2-methylbutyl)-2-[[(4-methylphenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-[[(4-methylphenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(4-methylanilino)methyl]-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-[(4-methylanilino)methyl]-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-2-[(4-methylanilino)methyl]-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methylbutyl)-2-(p-toluidinomethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)C)C

InChI

InChI=1S/C20H25N3OS/c1-5-12(2)10-16-14(4)25-20-18(16)19(24)22-17(23-20)11-21-15-8-6-13(3)7-9-15/h6-9,12,21H,5,10-11H2,1-4H3,(H,22,23,24)