1-piperazin-1-yl-3-[(2-pyridin-2-yl-6-pyridin-3-yl-pyrimidin-4-yl)amino]propan-1-one

Systemtic Name: 1-piperazin-1-yl-3-[(2-pyridin-2-yl-6-pyridin-3-yl-pyrimidin-4-yl)amino]propan-1-one Openeye Name: 1-piperazin-1-yl-3-[[2-(2-pyridyl)-6-(3-pyridyl)pyrimidin-4-yl]amino]propan-1-one CAS Name: 1-(1-piperazinyl)-3-[[2-(2-pyridinyl)-6-(3-pyridinyl)-4-pyrimidinyl]amino]-1-propanone IUPAC Name: 1-piperazin-1-yl-3-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-one Traditional Name: 1-piperazino-3-[[2-(2-pyridyl)-6-(3-pyridyl)pyrimidin-4-yl]amino]propan-1-one Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCNC2=NC(=NC(=C2)C3=CN=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1)C(=O)CCNC2=NC(=NC(=C2)C3=CN=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N7O/c29-20(28-12-10-22-11-13-28)6-9-25-19-14-18(16-4-3-7-23-15-16)26-21(27-19)17-5-1-2-8-24-17/h1-5,7-8,14-15,22H,6,9-13H2,(H,25,26,27)