4-ethoxy-6-methyl-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione

Systemtic Name: 4-ethoxy-6-methyl-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione Openeye Name: 4-ethoxy-2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-methyl-pyrrolo[3,4-c]pyridine-1,3-dione CAS Name: 4-ethoxy-2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-6-methylpyrrolo[3,4-c]pyridine-1,3-dione IUPAC Name: 4-ethoxy-2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-methylpyrrolo[3,4-c]pyridine-1,3-dione Traditional Name: 4-ethoxy-2-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-6-methyl-pyrrolo[3,4-c]pyridine-1,3-quinone Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=N1)C)C(=O)N(C2=O)CC(CN3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

CCOC1=C2C(=CC(=N1)C)C(=O)N(C2=O)CC(CN3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C21H26N6O4/c1-3-31-18-17-16(11-14(2)24-18)19(29)27(20(17)30)13-15(28)12-25-7-9-26(10-8-25)21-22-5-4-6-23-21/h4-6,11,15,28H,3,7-10,12-13H2,1-2H3