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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O3S/c1-25-15-5-3-14(4-6-15)16-10-28-21-19(16)20(23-11-24-21)22-9-13-2-7-17-18(8-13)27-12-26-17/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)