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

Systemtic Name: 4-[(1-aminocarbonylpiperidin-3-yl)methylamino]-2-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-[(1-carbamoyl-3-piperidyl)methylamino]pyrimidine-5-carboxamide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)anilino]-4-[(1-carbamoyl-3-piperidinyl)methylamino]-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-[(1-carbamoylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide Traditional Name: 2-[3-(4-acetylpiperazino)anilino]-4-[(1-carbamoyl-3-piperidyl)methylamino]pyrimidine-5-carboxamide Formula: C24H33N9O3 MolecularWeight: 495.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NCC4CCCN(C4)C(=O)N)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C(C(=N3)NCC4CCCN(C4)C(=O)N)C(=O)N

InChI

InChI=1S/C24H33N9O3/c1-16(34)31-8-10-32(11-9-31)19-6-2-5-18(12-19)29-24-28-14-20(21(25)35)22(30-24)27-13-17-4-3-7-33(15-17)23(26)36/h2,5-6,12,14,17H,3-4,7-11,13,15H2,1H3,(H2,25,35)(H2,26,36)(H2,27,28,29,30)