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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-3-methyl-5-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-3-methyl-5-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)N

InChI

InChI=1S/C21H29N5O3/c1-4-9-26-19(22)18(20(28)23(3)21(26)29)17(27)14-24-10-12-25(13-11-24)16-8-6-5-7-15(16)2/h5-8H,4,9-14,22H2,1-3H3/p+1