1-[2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-[4,6-bis(chloranyl)cyclohexa-1,5-dien-1-yl]pyrimidin-5-yl]-3-morpholin-4-yl-pyrrolidine-2,5-dione

Systemtic Name: 1-[2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-[4,6-bis(chloranyl)cyclohexa-1,5-dien-1-yl]pyrimidin-5-yl]-3-morpholin-4-yl-pyrrolidine-2,5-dione Openeye Name: 1-[2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4,6-dichlorocyclohexa-1,5-dien-1-yl)pyrimidin-5-yl]-3-morpholino-pyrrolidine-2,5-dione CAS Name: 1-[2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethylamino]-4-(4,6-dichloro-1-cyclohexa-1,5-dienyl)-5-pyrimidinyl]-3-(4-morpholinyl)pyrrolidine-2,5-dione IUPAC Name: 1-[2-[2-[(6-amino-5-nitropyridin-2-yl)amino]ethylamino]-4-(4,6-dichlorocyclohexa-1,5-dien-1-yl)pyrimidin-5-yl]-3-morpholin-4-ylpyrrolidine-2,5-dione Traditional Name: 1-[2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4,6-dichlorocyclohexa-1,5-dien-1-yl)pyrimidin-5-yl]-3-morpholino-pyrrolidine-2,5-quinone Formula: C25H27Cl2N9O5 MolecularWeight: 604.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2CC(=O)N(C2=O)C3=CN=C(N=C3C4=CCC(C=C4Cl)Cl)NCCNC5=NC(=C(C=C5)[N+](=O)[O-])N

Isomeric SMILES

C1COCCN1C2CC(=O)N(C2=O)C3=CN=C(N=C3C4=CCC(C=C4Cl)Cl)NCCNC5=NC(=C(C=C5)[N+](=O)[O-])N

InChI

InChI=1S/C25H27Cl2N9O5/c26-14-1-2-15(16(27)11-14)22-19(35-21(37)12-18(24(35)38)34-7-9-41-10-8-34)13-31-25(33-22)30-6-5-29-20-4-3-17(36(39)40)23(28)32-20/h2-4,11,13-14,18H,1,5-10,12H2,(H3,28,29,32)(H,30,31,33)