6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1,3-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1,3-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-dione Openeye Name: 7-benzyl-6-(4-ethylpiperazin-4-ium-1-carbonyl)-1,3-dimethyl-pyrrolo[2,3-d]pyrimidine-2,4-dione CAS Name: 6-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1,3-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-dione IUPAC Name: 7-benzyl-6-(4-ethylpiperazin-4-ium-1-carbonyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione Traditional Name: 7-benzyl-6-(4-ethylpiperazin-4-ium-1-carbonyl)-1,3-dimethyl-pyrrolo[2,3-d]pyrimidine-2,4-quinone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H27N5O3/c1-4-25-10-12-26(13-11-25)21(29)18-14-17-19(23(2)22(30)24(3)20(17)28)27(18)15-16-8-6-5-7-9-16/h5-9,14H,4,10-13,15H2,1-3H3/p+1