N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(m-tolyl)thieno[3,2-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylphenyl)-4-thieno[3,2-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-amine Traditional Name: [6-(m-tolyl)thieno[3,2-d]pyrimidin-4-yl]-piperonyl-amine Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=C(S2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=C(S2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O2S/c1-13-3-2-4-15(7-13)19-9-16-20(27-19)21(24-11-23-16)22-10-14-5-6-17-18(8-14)26-12-25-17/h2-9,11H,10,12H2,1H3,(H,22,23,24)