1-[4-[[4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[2-amino-5-(3-methylphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]piperazino]ethanone Formula: C22H24N6O2 MolecularWeight: 404.46496

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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)C(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O2/c1-14-4-3-5-16(10-14)18-13-25-22(23)26-20(18)17-11-19(24-12-17)21(30)28-8-6-27(7-9-28)15(2)29/h3-5,10-13,24H,6-9H2,1-2H3,(H2,23,25,26)