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

Systemtic Name: 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-phenyl-4-(1-piperidyl)-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-phenyl-4-(1-piperidinyl)-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-phenyl-4-piperidino-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C18H20ClF3N4O MolecularWeight: 400.82581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)C(F)(F)F.O.Cl

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)C(F)(F)F.O.Cl

InChI

InChI=1S/C18H17F3N4.ClH.H2O/c19-18(20,21)17-23-14-11-13(12-7-3-1-4-8-12)22-15(14)16(24-17)25-9-5-2-6-10-25;;/h1,3-4,7-8,11,22H,2,5-6,9-10H2;1H;1H2