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

Systemtic Name: 2-methyl-6-naphthalen-2-yl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-methyl-6-(2-naphthyl)-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-methyl-6-(2-naphthalenyl)-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-methyl-6-naphthalen-2-yl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-methyl-6-(2-naphthyl)-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC5=CC=CC=C5C=C4.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC5=CC=CC=C5C=C4.O.Cl

InChI

InChI=1S/C22H22N4.ClH.H2O/c1-15-23-20-14-19(18-10-9-16-7-3-4-8-17(16)13-18)25-21(20)22(24-15)26-11-5-2-6-12-26;;/h3-4,7-10,13-14,25H,2,5-6,11-12H2,1H3;1H;1H2