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

Systemtic Name: 4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 4-(1-piperidyl)-6-(2-pyridyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 4-(1-piperidinyl)-6-(2-pyridinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 4-piperidino-6-(2-pyridyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C16H20ClN5O MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2NC(=C3)C4=CC=CC=N4.O.Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2NC(=C3)C4=CC=CC=N4.O.Cl

InChI

InChI=1S/C16H17N5.ClH.H2O/c1-4-8-21(9-5-1)16-15-14(18-11-19-16)10-13(20-15)12-6-2-3-7-17-12;;/h2-3,6-7,10-11,20H,1,4-5,8-9H2;1H;1H2