6-azanyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C19H25N6O5+ MolecularWeight: 417.439

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H24N6O5/c1-2-7-24-17(20)16(18(27)21-19(24)28)15(26)12-22-8-10-23(11-9-22)13-3-5-14(6-4-13)25(29)30/h3-6H,2,7-12,20H2,1H3,(H,21,27,28)/p+1