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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-6-methyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-chloro-6-methyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)-homopiperonyl-amine Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O2S/c1-11-17(21)16-19(24-5-4-12-2-3-14-15(8-12)28-10-27-14)25-18(26-20(16)29-11)13-9-22-6-7-23-13/h2-3,6-9H,4-5,10H2,1H3,(H,24,25,26)