6-azanyl-3-methyl-1-(2-methylpropyl)-5-[(S)-phenyl-(4-phenylpiperazin-1-ium-1-yl)methyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-1-(2-methylpropyl)-5-[(S)-phenyl-(4-phenylpiperazin-1-ium-1-yl)methyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-isobutyl-3-methyl-5-[(S)-phenyl-(4-phenylpiperazin-1-ium-1-yl)methyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[(S)-phenyl-(4-phenyl-1-piperazin-1-iumyl)methyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[(S)-phenyl-(4-phenylpiperazin-1-ium-1-yl)methyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-isobutyl-3-methyl-5-[(S)-phenyl-(4-phenylpiperazin-1-ium-1-yl)methyl]pyrimidine-2,4-quinone Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4)N

InChI

InChI=1S/C26H33N5O2/c1-19(2)18-31-24(27)22(25(32)28(3)26(31)33)23(20-10-6-4-7-11-20)30-16-14-29(15-17-30)21-12-8-5-9-13-21/h4-13,19,23H,14-18,27H2,1-3H3/p+1/t23-/m0/s1