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

Systemtic Name: [4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[2-amino-5-(3-methylphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-phenylpiperazino)methanone Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N

InChI

InChI=1S/C26H26N6O/c1-18-6-5-7-19(14-18)22-17-29-26(27)30-24(22)20-15-23(28-16-20)25(33)32-12-10-31(11-13-32)21-8-3-2-4-9-21/h2-9,14-17,28H,10-13H2,1H3,(H2,27,29,30)