[5-chloranyl-2-(phenethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-chloranyl-2-(phenethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-chloro-2-(phenethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-chloro-2-(phenethylamino)-4-pyrimidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-chloro-2-(phenethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-chloro-2-(phenethylamino)pyrimidin-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H22ClN7O MolecularWeight: 423.89868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN7O/c22-17-15-26-20(23-10-7-16-5-2-1-3-6-16)27-18(17)19(30)28-11-13-29(14-12-28)21-24-8-4-9-25-21/h1-6,8-9,15H,7,10-14H2,(H,23,26,27)