7-chloranyl-5-(phenylmethylsulfanyl)-3-propan-2-yl-imidazo[1,5-c]pyrimidine; sulfuric acid

Systemtic Name: 7-chloranyl-5-(phenylmethylsulfanyl)-3-propan-2-yl-imidazo[1,5-c]pyrimidine; sulfuric acid Openeye Name: 5-benzylsulfanyl-7-chloro-3-isopropyl-imidazo[1,5-c]pyrimidine; sulfuric acid CAS Name: 7-chloro-5-(phenylmethylthio)-3-propan-2-ylimidazo[1,5-c]pyrimidine; sulfuric acid IUPAC Name: 5-benzylsulfanyl-7-chloro-3-propan-2-ylimidazo[1,5-c]pyrimidine; sulfuric acid Traditional Name: 5-(benzylthio)-7-chloro-3-isopropyl-imidazo[1,5-c]pyrimidine; sulfuric acid Formula: C16H18ClN3O4S2 MolecularWeight: 415.91482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C2N1C(=NC(=C2)Cl)SCC3=CC=CC=C3.OS(=O)(=O)O

Isomeric SMILES

CC(C)C1=NC=C2N1C(=NC(=C2)Cl)SCC3=CC=CC=C3.OS(=O)(=O)O

InChI

InChI=1S/C16H16ClN3S.H2O4S/c1-11(2)15-18-9-13-8-14(17)19-16(20(13)15)21-10-12-6-4-3-5-7-12;1-5(2,3)4/h3-9,11H,10H2,1-2H3;(H2,1,2,3,4)