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

Systemtic Name: 6-azanyl-5-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C27H34N5O4+ MolecularWeight: 492.58996

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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)C4=CC=CC=C4OCC

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C27H33N5O4/c1-3-31-26(34)24(25(28)32(27(31)35)18-20-10-6-5-7-11-20)22(33)19-29-14-16-30(17-15-29)21-12-8-9-13-23(21)36-4-2/h5-13H,3-4,14-19,28H2,1-2H3/p+1