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

Systemtic Name: 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-phenyl-4-(1-piperidyl)-2-propyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-phenyl-4-(1-piperidinyl)-2-propyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-phenyl-4-piperidino-2-propyl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CCCC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C20H24N4.ClH.H2O/c1-2-9-18-21-17-14-16(15-10-5-3-6-11-15)22-19(17)20(23-18)24-12-7-4-8-13-24;;/h3,5-6,10-11,14,22H,2,4,7-9,12-13H2,1H3;1H;1H2