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

Systemtic Name: 3-azanyl-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propyl-5-indolyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propylindol-5-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[1-[4-(5-methoxypyrimidin-4-yl)piperazino]-2-propyl-indol-5-yl]cyclobut-3-ene-1,2-quinone Formula: C24H26N6O3 MolecularWeight: 446.50164

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O3/c1-3-4-17-12-16-11-15(20-21(25)23(32)22(20)31)5-6-18(16)30(17)29-9-7-28(8-10-29)24-19(33-2)13-26-14-27-24/h5-6,11-14H,3-4,7-10,25H2,1-2H3