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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-6-methyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-chloro-6-methyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-homopiperonyl-amine Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C3=CN=CC=C3)NCCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C3=CN=CC=C3)NCCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-12-18(22)17-20(24-8-6-13-4-5-15-16(9-13)28-11-27-15)25-19(26-21(17)29-12)14-3-2-7-23-10-14/h2-5,7,9-10H,6,8,11H2,1H3,(H,24,25,26)