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

Systemtic Name: 6-azanyl-1-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-methyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-pyrimidine-2,4-quinone Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C16H21N5O2/c1-19-14(17)13(15(22)18-16(19)23)21-9-7-20(8-10-21)11-12-5-3-2-4-6-12/h2-6H,7-11,17H2,1H3,(H,18,22,23)/p+1