6-azanyl-3-ethyl-1-(phenylmethyl)-5-(2-pyrrolidin-1-ium-1-ylethanoyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-(2-pyrrolidin-1-ium-1-ylethanoyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-(2-pyrrolidin-1-ium-1-ylacetyl)pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-(2-pyrrolidin-1-ium-1-ylacetyl)pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-(2-pyrrolidin-1-ium-1-ylacetyl)pyrimidine-2,4-quinone Formula: C19H25N4O3+ MolecularWeight: 357.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCC3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C19H24N4O3/c1-2-22-18(25)16(15(24)13-21-10-6-7-11-21)17(20)23(19(22)26)12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,20H2,1H3/p+1