6-azanyl-5-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C24H30N7O4+ MolecularWeight: 480.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCNC(=O)[C@H]2C3=C(N(N=C3C)C4=CC=CC=C4)C)N

InChI

InChI=1S/C24H29N7O4/c1-4-11-30-21(25)19(22(33)27-24(30)35)17(32)13-29-12-10-26-23(34)20(29)18-14(2)28-31(15(18)3)16-8-6-5-7-9-16/h5-9,20H,4,10-13,25H2,1-3H3,(H,26,34)(H,27,33,35)/p+1/t20-/m1/s1