N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)C)C

InChI

InChI=1S/C22H19N3O2S/c1-12-4-5-15(8-13(12)2)19-14(3)28-22-20(19)21(23-10-24-22)25-16-6-7-17-18(9-16)27-11-26-17/h4-10H,11H2,1-3H3,(H,23,24,25)