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

Systemtic Name: 6-azanyl-3-methyl-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-3-methyl-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-1-propyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-3-methyl-1-propyl-5-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C18H26N7O3+ MolecularWeight: 388.44414

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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=NC=CC=N3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)N

InChI

InChI=1S/C18H25N7O3/c1-3-7-25-15(19)14(16(27)22(2)18(25)28)13(26)12-23-8-10-24(11-9-23)17-20-5-4-6-21-17/h4-6H,3,7-12,19H2,1-2H3/p+1