2-methylsulfanyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 2-methylsulfanyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-methylsulfanyl-6-phenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-(methylthio)-6-phenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-methylsulfanyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-(methylthio)-6-phenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CSC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C18H20N4S.ClH.H2O/c1-23-18-20-15-12-14(13-8-4-2-5-9-13)19-16(15)17(21-18)22-10-6-3-7-11-22;;/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3;1H;1H2