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

Systemtic Name: 7-ethyl-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 7-ethyl-2-methyl-6-phenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 7-ethyl-2-methyl-6-phenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 7-ethyl-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 7-ethyl-2-methyl-6-phenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=C1N=C(N=C2N3CCCCC3)C)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CCC1=C(NC2=C1N=C(N=C2N3CCCCC3)C)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C20H24N4.ClH.H2O/c1-3-16-17(15-10-6-4-7-11-15)23-19-18(16)21-14(2)22-20(19)24-12-8-5-9-13-24;;/h4,6-7,10-11,23H,3,5,8-9,12-13H2,1-2H3;1H;1H2