[4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[2-amino-5-(3-chlorophenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazino)methanone Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=CC(=CC=C5)Cl)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=CC(=CC=C5)Cl)N

InChI

InChI=1S/C25H23ClN6O/c26-19-6-4-5-17(13-19)21-16-29-25(27)30-23(21)18-14-22(28-15-18)24(33)32-11-9-31(10-12-32)20-7-2-1-3-8-20/h1-8,13-16,28H,9-12H2,(H2,27,29,30)