4-chloranyl-6-methyl-1-phenyl-2,3,3a,4,5,7a-hexahydropyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-chloranyl-6-methyl-1-phenyl-2,3,3a,4,5,7a-hexahydropyrazolo[3,4-d]pyrimidine Openeye Name: 4-chloro-6-methyl-1-phenyl-2,3,3a,4,5,7a-hexahydropyrazolo[3,4-d]pyrimidine CAS Name: 4-chloro-6-methyl-1-phenyl-2,3,3a,4,5,7a-hexahydropyrazolo[3,4-d]pyrimidine IUPAC Name: 4-chloro-6-methyl-1-phenyl-2,3,3a,4,5,7a-hexahydropyrazolo[3,4-d]pyrimidine Traditional Name: 4-chloro-6-methyl-1-phenyl-2,3,3a,4,5,7a-hexahydropyrazolo[3,4-d]pyrimidine Formula: C12H15ClN4 MolecularWeight: 250.7273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2C(CNN2C3=CC=CC=C3)C(N1)Cl

Isomeric SMILES

CC1=NC2C(CNN2C3=CC=CC=C3)C(N1)Cl

InChI

InChI=1S/C12H15ClN4/c1-8-15-11(13)10-7-14-17(12(10)16-8)9-5-3-2-4-6-9/h2-6,10-12,14H,7H2,1H3,(H,15,16)