N-(4-ethoxyphenyl)-4-piperazin-1-yl-5-pyridin-3-yl-pyrimidin-2-amine

Systemtic Name: N-(4-ethoxyphenyl)-4-piperazin-1-yl-5-pyridin-3-yl-pyrimidin-2-amine Openeye Name: N-(4-ethoxyphenyl)-4-piperazin-1-yl-5-(3-pyridyl)pyrimidin-2-amine CAS Name: N-(4-ethoxyphenyl)-4-(1-piperazinyl)-5-(3-pyridinyl)-2-pyrimidinamine IUPAC Name: N-(4-ethoxyphenyl)-4-piperazin-1-yl-5-pyridin-3-ylpyrimidin-2-amine Traditional Name: [4-piperazino-5-(3-pyridyl)pyrimidin-2-yl]-p-phenetyl-amine Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCNCC3)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)N3CCNCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O/c1-2-28-18-7-5-17(6-8-18)25-21-24-15-19(16-4-3-9-23-14-16)20(26-21)27-12-10-22-11-13-27/h3-9,14-15,22H,2,10-13H2,1H3,(H,24,25,26)