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

Systemtic Name: 2-cyclopropyl-6-(4-fluorophenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-cyclopropyl-6-(4-fluorophenyl)-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-cyclopropyl-6-(4-fluorophenyl)-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-cyclopropyl-6-(4-fluorophenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-cyclopropyl-6-(4-fluorophenyl)-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C20H24ClFN4O MolecularWeight: 390.882163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=C(C=C4)F)C5CC5.O.Cl

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=C(C=C4)F)C5CC5.O.Cl

InChI

InChI=1S/C20H21FN4.ClH.H2O/c21-15-8-6-13(7-9-15)16-12-17-18(22-16)20(25-10-2-1-3-11-25)24-19(23-17)14-4-5-14;;/h6-9,12,14,22H,1-5,10-11H2;1H;1H2