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

Systemtic Name: 3-(tert-butylamino)-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(tert-butylamino)-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-(tert-butylamino)-4-[1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propyl-5-indolyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(tert-butylamino)-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propylindol-5-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-butylamino)-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazino]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-quinone Formula: C28H34N6O3 MolecularWeight: 502.60796

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N6O3/c1-6-7-20-15-19-14-18(23-24(26(36)25(23)35)31-28(2,3)4)8-9-21(19)34(20)33-12-10-32(11-13-33)27-22(37-5)16-29-17-30-27/h8-9,14-17,31H,6-7,10-13H2,1-5H3