1-(5-chloranyl-2-methyl-phenyl)-N-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-N-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-N-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(5-chloro-2-methylphenyl)-N-phenethyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(5-chloro-2-methylphenyl)-N-phenethylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-phenethyl-amine Formula: C20H18ClN5 MolecularWeight: 363.84342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5/c1-14-7-8-16(21)11-18(14)26-20-17(12-25-26)19(23-13-24-20)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,23,24)