4-methylbenzenesulfonic acid; 7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-methylbenzenesulfonic acid; 7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-methylbenzenesulfonic acid; 7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-methylbenzenesulfonic acid; 7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-methylbenzenesulfonic acid; 7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 7H-pyrrolo[2,3-d]pyrimidine; tosylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CNC2=NC=NC=C21

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CNC2=NC=NC=C21

InChI

InChI=1S/C7H8O3S.C6H5N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-6-5(1)3-7-4-9-6/h2-5H,1H3,(H,8,9,10);1-4H,(H,7,8,9)