benzene; 4-(2-sulfonylpiperazin-1-yl)pyrimidine; hydrate; hydrochloride

Systemtic Name: benzene; 4-(2-sulfonylpiperazin-1-yl)pyrimidine; hydrate; hydrochloride Openeye Name: benzene; 4-(2-sulfonylpiperazin-1-yl)pyrimidine; hydrate; hydrochloride CAS Name: benzene; 4-(2-sulfonyl-1-piperazinyl)pyrimidine; hydrate; hydrochloride IUPAC Name: benzene; 4-(2-sulfonylpiperazin-1-yl)pyrimidine; hydrate; hydrochloride Traditional Name: benzene; 4-(2-sulfonylpiperazino)pyrimidine; hydrate; hydrochloride Formula: C14H19ClN4O3S MolecularWeight: 358.84366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S(=O)=O)CN1)C2=NC=NC=C2.C1=CC=CC=C1.O.Cl

Isomeric SMILES

C1CN(C(=S(=O)=O)CN1)C2=NC=NC=C2.C1=CC=CC=C1.O.Cl

InChI

InChI=1S/C8H10N4O2S.C6H6.ClH.H2O/c13-15(14)8-5-9-3-4-12(8)7-1-2-10-6-11-7;1-2-4-6-5-3-1;;/h1-2,6,9H,3-5H2;1-6H;1H;1H2