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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-6-methyl-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-methyl-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-methyl-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-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)-piperonyl-amine Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)N3C=CC=N3)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)N3C=CC=N3)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C18H14ClN5O2S/c1-10-15(19)14-16(20-8-11-3-4-12-13(7-11)26-9-25-12)22-18(23-17(14)27-10)24-6-2-5-21-24/h2-7H,8-9H2,1H3,(H,20,22,23)