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

Systemtic Name: 2-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(4-piperidylmethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)anilino]-4-(4-piperidinylmethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-(4-acetylpiperazino)anilino]-4-(4-piperidylmethylamino)pyrimidine-5-carboxamide Formula: C23H32N8O2 MolecularWeight: 452.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NCC4CCNCC4)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NCC4CCNCC4)C(=O)N

InChI

InChI=1S/C23H32N8O2/c1-16(32)30-9-11-31(12-10-30)19-4-2-3-18(13-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-5-7-25-8-6-17/h2-4,13,15,17,25H,5-12,14H2,1H3,(H2,24,33)(H2,26,27,28,29)