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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

InChI

InChI=1S/C25H29N5O3/c1-18-8-6-7-11-20(18)29-14-12-28(13-15-29)17-21(31)22-23(26)30(25(33)27(2)24(22)32)16-19-9-4-3-5-10-19/h3-11H,12-17,26H2,1-2H3/p+1