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

Systemtic Name: 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-(2-chlorophenyl)-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-(2-chlorophenyl)-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-(2-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-(2-chlorophenyl)-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C18H22Cl2N4O MolecularWeight: 381.29948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4Cl.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=CC=C4Cl.O.Cl

InChI

InChI=1S/C18H19ClN4.ClH.H2O/c1-12-20-16-11-15(13-7-3-4-8-14(13)19)22-17(16)18(21-12)23-9-5-2-6-10-23;;/h3-4,7-8,11,22H,2,5-6,9-10H2,1H3;1H;1H2