2-methyl-6-phenyl-4-(4-phenylpiperazin-1-yl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 2-methyl-6-phenyl-4-(4-phenylpiperazin-1-yl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-methyl-6-phenyl-4-(4-phenylpiperazin-1-yl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-methyl-6-phenyl-4-(4-phenyl-1-piperazinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-methyl-6-phenyl-4-(4-phenylpiperazin-1-yl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-methyl-6-phenyl-4-(4-phenylpiperazino)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C23H26ClN5O MolecularWeight: 423.93844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCN(CC3)C4=CC=CC=C4)NC(=C2)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)C4=CC=CC=C4)NC(=C2)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C23H23N5.ClH.H2O/c1-17-24-21-16-20(18-8-4-2-5-9-18)26-22(21)23(25-17)28-14-12-27(13-15-28)19-10-6-3-7-11-19;;/h2-11,16,26H,12-15H2,1H3;1H;1H2