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

Systemtic Name: 6-(3-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-(3-chlorophenyl)-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-(3-chlorophenyl)-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-(3-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-(3-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=C4)Cl.O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4.ClH.H2O/c1-12-20-16-11-15(13-6-5-7-14(19)10-13)22-17(16)18(21-12)23-8-3-2-4-9-23;;/h5-7,10-11,22H,2-4,8-9H2,1H3;1H;1H2