2-(3,5-dimethylpyrazol-1-yl)-N-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-benzyl-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCC5=CC=CC=C5)C

InChI

InChI=1S/C22H23N5S/c1-14-12-15(2)27(26-14)22-24-20(23-13-16-8-4-3-5-9-16)19-17-10-6-7-11-18(17)28-21(19)25-22/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,23,24,25)