2-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(tetrahydropyran-4-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)anilino]-4-(4-oxanylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(oxan-4-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-(4-acetylpiperazino)anilino]-4-(tetrahydropyran-4-ylamino)pyrimidine-5-carboxamide Formula: C22H29N7O3 MolecularWeight: 439.51076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCOCC4)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4CCOCC4)C(=O)N

InChI

InChI=1S/C22H29N7O3/c1-15(30)28-7-9-29(10-8-28)18-4-2-3-17(13-18)26-22-24-14-19(20(23)31)21(27-22)25-16-5-11-32-12-6-16/h2-4,13-14,16H,5-12H2,1H3,(H2,23,31)(H2,24,25,26,27)