2-azanyl-4-[(3,4-dimethylphenyl)methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[(3,4-dimethylphenyl)methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[(3,4-dimethylphenyl)methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[(3,4-dimethylphenyl)methylamino]-6-(1-pyrazolyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[(3,4-dimethylphenyl)methylamino]-6-pyrazol-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[(3,4-dimethylbenzyl)amino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Formula: C17H17N7 MolecularWeight: 319.36378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C#N)N3C=CC=N3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C#N)N3C=CC=N3)N)C

InChI

InChI=1S/C17H17N7/c1-11-4-5-13(8-12(11)2)10-20-15-14(9-18)16(23-17(19)22-15)24-7-3-6-21-24/h3-8H,10H2,1-2H3,(H3,19,20,22,23)