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

Systemtic Name: 6-azanyl-3-ethyl-5-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C26H32N5O3+ MolecularWeight: 462.56398

Click to see the large picture

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=CC=C4C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C26H31N5O3/c1-3-30-25(33)23(24(27)31(26(30)34)17-20-10-5-4-6-11-20)22(32)18-28-13-15-29(16-14-28)21-12-8-7-9-19(21)2/h4-12H,3,13-18,27H2,1-2H3/p+1