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

Systemtic Name: 6-azanyl-1-butyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)-1-butyl-pyrimidine-2,4-quinone Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C19H27N5O2/c1-2-3-9-24-17(20)16(18(25)21-19(24)26)23-12-10-22(11-13-23)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14,20H2,1H3,(H,21,25,26)/p+1