4-(cyclopropylamino)-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclopropylamino)-2-[[4-(4-propanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-(cyclopropylamino)-2-[4-(4-propanoylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide CAS Name: 4-(cyclopropylamino)-2-[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclopropylamino)-2-[4-(4-propanoylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide Traditional Name: 4-(cyclopropylamino)-2-[4-(4-propionylpiperazino)anilino]pyrimidine-5-carboxamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N

InChI

InChI=1S/C21H27N7O2/c1-2-18(29)28-11-9-27(10-12-28)16-7-5-15(6-8-16)25-21-23-13-17(19(22)30)20(26-21)24-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,22,30)(H2,23,24,25,26)