N6-butyl-N4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[4-(3-chloro-4-methoxy-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C17H21ClN6O MolecularWeight: 360.84124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C17H21ClN6O/c1-4-5-8-19-17-22-15(12-10-20-24(2)16(12)23-17)21-11-6-7-14(25-3)13(18)9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,21,22,23)