6-azanyl-5-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H29N5O3/c1-27-23(26)21(24(32)28(2)25(27)33)20(31)17-29-13-15-30(16-14-29)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,22H,13-17,26H2,1-2H3/p+1