4-azanyl-1-[[3-(2-chlorophenyl)-8-methyl-quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Systemtic Name: 4-azanyl-1-[[3-(2-chlorophenyl)-8-methyl-quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile Openeye Name: 4-amino-1-[[3-(2-chlorophenyl)-8-methyl-quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile CAS Name: 4-amino-1-[[3-(2-chlorophenyl)-8-methyl-2-quinoxalinyl]methyl]-3-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile Traditional Name: 4-amino-1-[[3-(2-chlorophenyl)-8-methyl-quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile Formula: C22H15ClN8 MolecularWeight: 426.8611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(C(=N2)CN3C4=C(C(=N3)C#N)C(=NC=N4)N)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=N2)CN3C4=C(C(=N3)C#N)C(=NC=N4)N)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H15ClN8/c1-12-5-4-8-15-19(12)29-17(20(28-15)13-6-2-3-7-14(13)23)10-31-22-18(16(9-24)30-31)21(25)26-11-27-22/h2-8,11H,10H2,1H3,(H2,25,26,27)