N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrazol-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrazol-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrazol-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrazol-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(2-pyrazol-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)N4C=CC=N4)NCC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)N4C=CC=N4)NCC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C22H21N5O2S/c1-2-5-18-15(4-1)19-20(25-22(26-21(19)30-18)27-9-3-8-24-27)23-13-14-6-7-16-17(12-14)29-11-10-28-16/h3,6-9,12H,1-2,4-5,10-11,13H2,(H,23,25,26)