2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-3,5-dimethyl-pyridine-4-carbonitrile

Systemtic Name: 2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-3,5-dimethyl-pyridine-4-carbonitrile Openeye Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]-3,5-dimethyl-pyridine-4-carbonitrile CAS Name: 2-[(2-amino-6-chloro-9-purinyl)methyl]-3,5-dimethyl-4-pyridinecarbonitrile IUPAC Name: 2-[(2-amino-6-chloropurin-9-yl)methyl]-3,5-dimethylpyridine-4-carbonitrile Traditional Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]-3,5-dimethyl-isonicotinonitrile Formula: C14H12ClN7 MolecularWeight: 313.74498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1C#N)C)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC1=CN=C(C(=C1C#N)C)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C14H12ClN7/c1-7-4-18-10(8(2)9(7)3-16)5-22-6-19-11-12(15)20-14(17)21-13(11)22/h4,6H,5H2,1-2H3,(H2,17,20,21)