6-azanyl-5-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]acetyl]-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxoethyl]-1-cyclopropylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]acetyl]-1-cyclopropylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C19H21ClN6O5 MolecularWeight: 448.86024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C19H21ClN6O5/c20-11-1-4-13(14(9-11)26(30)31)24-7-5-23(6-8-24)10-15(27)16-17(21)25(12-2-3-12)19(29)22-18(16)28/h1,4,9,12H,2-3,5-8,10,21H2,(H,22,28,29)