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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-(1,2,4-triazol-1-yl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-[5-methyl-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=NC(=C12)NCCC3=CC4=C(C=C3)OCO4)N5C=NC=N5

Isomeric SMILES

CC1=CSC2=NC(=NC(=C12)NCCC3=CC4=C(C=C3)OCO4)N5C=NC=N5

InChI

InChI=1S/C18H16N6O2S/c1-11-7-27-17-15(11)16(22-18(23-17)24-9-19-8-21-24)20-5-4-12-2-3-13-14(6-12)26-10-25-13/h2-3,6-9H,4-5,10H2,1H3,(H,20,22,23)