6-azanyl-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-propyl-5-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C17H24N7O3+ MolecularWeight: 374.41756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)N

InChI

InChI=1S/C17H23N7O3/c1-2-6-24-14(18)13(15(26)21-17(24)27)12(25)11-22-7-9-23(10-8-22)16-19-4-3-5-20-16/h3-5H,2,6-11,18H2,1H3,(H,21,26,27)/p+1