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

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-1-methyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(4-chloro-2-methyl-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chloro-2-methylphenyl)-1-methyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-1-methyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(4-chloro-2-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=CC(=C1)Cl)NC2=NC(=NC3=C2C=NN3C)NCC=C

Isomeric SMILES

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

InChI

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