1-(3-chloranyl-4-methyl-phenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine Formula: C19H14ClN5O3 MolecularWeight: 395.79916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=C(C=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=C(C=C4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C19H14ClN5O3/c1-11-3-4-13(8-16(11)20)24-18-15(9-23-24)19(22-10-21-18)28-14-5-6-17(25(26)27)12(2)7-14/h3-10H,1-2H3