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

Systemtic Name: 6-azanyl-3-ethyl-5-(2-isoquinolin-2-ium-2-ylethanoyl)-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-(2-isoquinolin-2-ium-2-ylacetyl)pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-(2-isoquinolin-2-ium-2-ylacetyl)pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-(2-isoquinolin-2-ium-2-ylacetyl)pyrimidine-2,4-quinone Formula: C24H23N4O3+ MolecularWeight: 415.46442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H22N4O3/c1-2-27-23(30)21(22(25)28(24(27)31)14-17-8-4-3-5-9-17)20(29)16-26-13-12-18-10-6-7-11-19(18)15-26/h3-13,15H,2,14,16H2,1H3,(H-,25,29,30)/p+1