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

Systemtic Name: 6-azanyl-5-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]-6-amino-1-benzyl-3-methyl-pyrimidine-2,4-dione CAS Name: 5-[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-6-amino-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]-6-amino-1-benzyl-3-methylpyrimidine-2,4-dione Traditional Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]-6-amino-1-benzyl-3-methyl-pyrimidine-2,4-quinone Formula: C26H30N5O4+ MolecularWeight: 476.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

InChI

InChI=1S/C26H29N5O4/c1-18(32)20-8-10-21(11-9-20)30-14-12-29(13-15-30)17-22(33)23-24(27)31(26(35)28(2)25(23)34)16-19-6-4-3-5-7-19/h3-11H,12-17,27H2,1-2H3/p+1