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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C21H28N5O4+ MolecularWeight: 414.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4/c1-3-9-26-18(22)17(20(29)23(2)21(26)30)16(27)14-24-10-12-25(13-11-24)19(28)15-7-5-4-6-8-15/h4-8H,3,9-14,22H2,1-2H3/p+1