[5-chloranyl-2-(phenethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [5-chloranyl-2-(phenethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [5-chloro-2-(phenethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [5-chloro-2-(phenethylamino)-4-pyrimidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [5-chloro-2-(phenethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [5-chloro-2-(phenethylamino)pyrimidin-4-yl]-(4-phenylpiperazino)methanone Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H24ClN5O/c24-20-17-26-23(25-12-11-18-7-3-1-4-8-18)27-21(20)22(30)29-15-13-28(14-16-29)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,26,27)