1-[4-phenylazanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-phenylazanyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]ethanone Openeye Name: 1-[4-anilino-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrimidin-5-yl]ethanone CAS Name: 1-[4-anilino-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-anilino-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidin-5-yl]ethanone Traditional Name: 1-[4-anilino-2-[(5-piperazino-2-pyridyl)amino]pyrimidin-5-yl]ethanone Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)NC3=NC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)NC3=NC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C21H23N7O/c1-15(29)18-14-24-21(27-20(18)25-16-5-3-2-4-6-16)26-19-8-7-17(13-23-19)28-11-9-22-10-12-28/h2-8,13-14,22H,9-12H2,1H3,(H2,23,24,25,26,27)