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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-6-methyl-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methyl-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-chloro-6-methyl-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)-homopiperonyl-amine Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)N3C=CC=N3)NCCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)N3C=CC=N3)NCCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C19H16ClN5O2S/c1-11-16(20)15-17(23-19(24-18(15)28-11)25-8-2-6-22-25)21-7-5-12-3-4-13-14(9-12)27-10-26-13/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,23,24)