6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-(4-propylpyridin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-(4-propylpyridin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-propylpyridin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-propylpyridin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-propylpyridin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=O)N(C2=O)CC)CC3=CC=CC=C3)N

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=O)N(C2=O)CC)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H26N4O3/c1-3-8-17-11-13-25(14-12-17)16-19(28)20-21(24)27(15-18-9-6-5-7-10-18)23(30)26(4-2)22(20)29/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H-,24,28,29)/p+1