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

Systemtic Name: 6-azanyl-5-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C23H30N5O4+ MolecularWeight: 440.5154

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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[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H29N5O4/c1-2-27-22(31)19(20(24)28(23(27)32)14-16-6-4-3-5-7-16)18(29)15-25-10-12-26(13-11-25)21(30)17-8-9-17/h3-7,17H,2,8-15,24H2,1H3/p+1