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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-phenyl-6-piperazin-1-yl-pyrimidin-2-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-phenyl-6-piperazin-1-yl-pyrimidin-2-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-4-phenyl-6-(1-piperazinyl)-2-pyrimidinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-phenyl-6-piperazin-1-ylpyrimidin-2-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-(4-phenyl-6-piperazino-pyrimidin-2-yl)amine Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)N3CCNCC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)N3CCNCC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O/c1-28-19-8-7-16(13-17(19)22)24-21-25-18(15-5-3-2-4-6-15)14-20(26-21)27-11-9-23-10-12-27/h2-8,13-14,23H,9-12H2,1H3,(H,24,25,26)