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

Systemtic Name: 3-[[2-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-4-methyl-1-propyl-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[2-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-4-methyl-1-propyl-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[2-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-4-methyl-1-propyl-5-indolyl]amino]-4-methylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[[2-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-4-methyl-1-propylindol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[2-[4-(5-methoxypyrimidin-4-yl)piperazino]-4-methyl-1-propyl-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-quinone Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C1N3CCN(CC3)C4=NC=NC=C4OC)C(=C(C=C2)NC5=C(C(=O)C5=O)C)C

Isomeric SMILES

CCCN1C2=C(C=C1N3CCN(CC3)C4=NC=NC=C4OC)C(=C(C=C2)NC5=C(C(=O)C5=O)C)C

InChI

InChI=1S/C26H30N6O3/c1-5-8-32-20-7-6-19(29-23-17(3)24(33)25(23)34)16(2)18(20)13-22(32)30-9-11-31(12-10-30)26-21(35-4)14-27-15-28-26/h6-7,13-15,29H,5,8-12H2,1-4H3