2-methyl-6-(4-methylsulfonylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 2-methyl-6-(4-methylsulfonylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-methyl-6-(4-methylsulfonylphenyl)-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-methyl-6-(4-methylsulfonylphenyl)-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-methyl-6-(4-methylsulfonylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-(4-mesylphenyl)-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=C(C=C4)S(=O)(=O)C.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=C(C=C4)S(=O)(=O)C.O.Cl

InChI

InChI=1S/C19H22N4O2S.ClH.H2O/c1-13-20-17-12-16(14-6-8-15(9-7-14)26(2,24)25)22-18(17)19(21-13)23-10-4-3-5-11-23;;/h6-9,12,22H,3-5,10-11H2,1-2H3;1H;1H2