4-(cyclopropylamino)-2-[[4-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclopropylamino)-2-[[4-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-acetyl-1,4-diazepan-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-acetyl-1,4-diazepan-1-yl)anilino]-4-(cyclopropylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-acetyl-1,4-diazepan-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-acetyl-1,4-diazepan-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N

InChI

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