N-(3-chloranyl-4-methoxy-phenyl)-4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-amine

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-[4-(4-ethylpiperazino)-6-phenyl-pyrimidin-2-yl]amine Formula: C23H26ClN5O MolecularWeight: 423.93844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H26ClN5O/c1-3-28-11-13-29(14-12-28)22-16-20(17-7-5-4-6-8-17)26-23(27-22)25-18-9-10-21(30-2)19(24)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,26,27)