N-(3,4-dimethylphenyl)-4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-amine

Systemtic Name: N-(3,4-dimethylphenyl)-4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-amine Openeye Name: N-(3,4-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-amine CAS Name: N-(3,4-dimethylphenyl)-4-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinamine IUPAC Name: N-(3,4-dimethylphenyl)-4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-amine Traditional Name: (3,4-dimethylphenyl)-[4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]amine Formula: C21H24N6 MolecularWeight: 360.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CN=C(C=C3)N4CCNCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CN=C(C=C3)N4CCNCC4)C

InChI

InChI=1S/C21H24N6/c1-15-3-5-18(13-16(15)2)25-21-23-8-7-19(26-21)17-4-6-20(24-14-17)27-11-9-22-10-12-27/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,25,26)