6-chloranyl-5,8-bis(oxidanyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)naphthalene-1,4-dione

Systemtic Name: 6-chloranyl-5,8-bis(oxidanyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)naphthalene-1,4-dione Openeye Name: 6-chloro-5,8-dihydroxy-7-(4-pyrimidin-2-ylpiperazin-1-yl)naphthalene-1,4-dione CAS Name: 6-chloro-5,8-dihydroxy-7-[4-(2-pyrimidinyl)-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 6-chloro-5,8-dihydroxy-7-(4-pyrimidin-2-ylpiperazin-1-yl)naphthalene-1,4-dione Traditional Name: 6-chloro-5,8-dihydroxy-7-[4-(2-pyrimidyl)piperazino]-1,4-naphthoquinone Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C4=NC=CC=N4

InChI

InChI=1S/C18H15ClN4O4/c19-14-15(17(27)13-11(25)3-2-10(24)12(13)16(14)26)22-6-8-23(9-7-22)18-20-4-1-5-21-18/h1-5,26-27H,6-9H2