4-(azepan-1-yl)-1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine Formula: C18H20ClN5 MolecularWeight: 341.8379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

InChI

InChI=1S/C18H20ClN5/c1-13-6-7-14(19)10-16(13)24-18-15(11-22-24)17(20-12-21-18)23-8-4-2-3-5-9-23/h6-7,10-12H,2-5,8-9H2,1H3