6-azanyl-3-ethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-ethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C25H29N6O5+ MolecularWeight: 493.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O5/c1-2-29-24(33)22(23(26)30(25(29)34)16-18-6-4-3-5-7-18)21(32)17-27-12-14-28(15-13-27)19-8-10-20(11-9-19)31(35)36/h3-11H,2,12-17,26H2,1H3/p+1