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

Systemtic Name: 6-phenyl-4-piperidin-1-yl-2-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-phenyl-4-(1-piperidyl)-2-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-phenyl-4-(1-piperidinyl)-2-(1-pyrrolidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-phenyl-4-piperidin-1-yl-2-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-phenyl-4-piperidino-2-pyrrolidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)N5CCCC5.O.Cl

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)N5CCCC5.O.Cl

InChI

InChI=1S/C21H25N5.ClH.H2O/c1-3-9-16(10-4-1)17-15-18-19(22-17)20(25-11-5-2-6-12-25)24-21(23-18)26-13-7-8-14-26;;/h1,3-4,9-10,15,22H,2,5-8,11-14H2;1H;1H2