3-(cyclopropylamino)-4-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclopropylamino)-4-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclopropylamino)-4-[4-(8-pyrimidin-5-yl-2-quinolyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclopropylamino)-4-[4-[8-(5-pyrimidinyl)-2-quinolinyl]-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclopropylamino)-4-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclopropylamino)-4-[4-[8-(5-pyrimidyl)-2-quinolyl]piperazino]cyclobut-3-ene-1,2-quinone Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C(=O)C2=O)N3CCN(CC3)C4=NC5=C(C=CC=C5C6=CN=CN=C6)C=C4

Isomeric SMILES

C1CC1NC2=C(C(=O)C2=O)N3CCN(CC3)C4=NC5=C(C=CC=C5C6=CN=CN=C6)C=C4

InChI

InChI=1S/C24H22N6O2/c31-23-21(27-17-5-6-17)22(24(23)32)30-10-8-29(9-11-30)19-7-4-15-2-1-3-18(20(15)28-19)16-12-25-14-26-13-16/h1-4,7,12-14,17,27H,5-6,8-11H2