N4-(3-chloranyl-4-methyl-phenyl)-1-methyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-methyl-phenyl)-1-methyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3-chloro-4-methyl-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methylphenyl)-1-methyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methylphenyl)-1-methyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(3-chloro-4-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C16H17ClN6 MolecularWeight: 328.79938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C)NCC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C)NCC=C)Cl

InChI

InChI=1S/C16H17ClN6/c1-4-7-18-16-21-14(12-9-19-23(3)15(12)22-16)20-11-6-5-10(2)13(17)8-11/h4-6,8-9H,1,7H2,2-3H3,(H2,18,20,21,22)