1-[(5-azanyl-2-chloranyl-phenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one dihydrochloride

Systemtic Name: 1-[(5-azanyl-2-chloranyl-phenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one dihydrochloride Openeye Name: 1-[(5-amino-2-chloro-phenyl)methyl]-3-methyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one dihydrochloride CAS Name: 1-[(5-amino-2-chlorophenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one dihydrochloride IUPAC Name: 1-[(5-amino-2-chlorophenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one dihydrochloride Traditional Name: 1-(5-amino-2-chloro-benzyl)-3-methyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one dihydrochloride Formula: C18H17Cl3N6O MolecularWeight: 439.72618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=C(C=CC(=C4)N)Cl.Cl.Cl

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=C(C=CC(=C4)N)Cl.Cl.Cl

InChI

InChI=1S/C18H15ClN6O.2ClH/c1-10-15-17(22-16(23-18(15)26)11-4-6-21-7-5-11)25(24-10)9-12-8-13(20)2-3-14(12)19;;/h2-8,24H,9,20H2,1H3;2*1H