1-(3-chloranyl-4-methyl-phenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-N-(3-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-chloro-4-methylphenyl)-N-(3-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H15ClN6 MolecularWeight: 350.8049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C18H15ClN6/c1-12-4-5-14(7-16(12)19)25-18-15(10-24-25)17(22-11-23-18)21-9-13-3-2-6-20-8-13/h2-8,10-11H,9H2,1H3,(H,21,22,23)