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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)thieno[3,2-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-fluoro-4-methoxy-phenyl)thieno[3,2-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-thieno[3,2-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-fluoro-4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine Traditional Name: [6-(3-fluoro-4-methoxy-phenyl)thieno[3,2-d]pyrimidin-4-yl]-piperonyl-amine Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C21H16FN3O3S/c1-26-16-5-3-13(7-14(16)22)19-8-15-20(29-19)21(25-10-24-15)23-9-12-2-4-17-18(6-12)28-11-27-17/h2-8,10H,9,11H2,1H3,(H,23,24,25)