1-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-mesyl-1,4-diazepan-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C12H18N6O2S MolecularWeight: 310.37532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C12H18N6O2S/c1-16-11-10(8-15-16)12(14-9-13-11)17-4-3-5-18(7-6-17)21(2,19)20/h8-9H,3-7H2,1-2H3