3-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]-4-(propan-2-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]-4-(propan-2-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(isopropylamino)-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-[1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propyl-5-indolyl]-4-(propan-2-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propylindol-5-yl]-4-(propan-2-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(isopropylamino)-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazino]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-quinone Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)C5=C(C(=O)C5=O)NC(C)C

Isomeric SMILES

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)C5=C(C(=O)C5=O)NC(C)C

InChI

InChI=1S/C27H32N6O3/c1-5-6-20-14-19-13-18(23-24(30-17(2)3)26(35)25(23)34)7-8-21(19)33(20)32-11-9-31(10-12-32)27-22(36-4)15-28-16-29-27/h7-8,13-17,30H,5-6,9-12H2,1-4H3