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

Systemtic Name: 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-ethyl-6-phenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-ethyl-6-phenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-ethyl-6-phenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C19H25ClN4O MolecularWeight: 360.881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C19H22N4.ClH.H2O/c1-2-17-20-16-13-15(14-9-5-3-6-10-14)21-18(16)19(22-17)23-11-7-4-8-12-23;;/h3,5-6,9-10,13,21H,2,4,7-8,11-12H2,1H3;1H;1H2