2-[(1,3-benzodioxol-5-ylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H19N3O3S/c1-12-3-5-14(6-4-12)19-13(2)29-22-20(19)21(26)24-18(25-22)10-23-15-7-8-16-17(9-15)28-11-27-16/h3-9,23H,10-11H2,1-2H3,(H,24,25,26)