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

Systemtic Name: 6-azanyl-1-(2-methylpropyl)-5-[(R)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-3-yl-methyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-isobutyl-5-[(R)-(4-phenylpiperazin-1-ium-1-yl)-(3-pyridyl)methyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methylpropyl)-5-[(R)-(4-phenyl-1-piperazin-1-iumyl)-(3-pyridinyl)methyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methylpropyl)-5-[(R)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-3-ylmethyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-isobutyl-5-[(R)-(4-phenylpiperazin-1-ium-1-yl)-(3-pyridyl)methyl]pyrimidine-2,4-quinone Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)C(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)[C@@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4)N

InChI

InChI=1S/C24H30N6O2/c1-17(2)16-30-22(25)20(23(31)27-24(30)32)21(18-7-6-10-26-15-18)29-13-11-28(12-14-29)19-8-4-3-5-9-19/h3-10,15,17,21H,11-14,16,25H2,1-2H3,(H,27,31,32)/p+1/t21-/m1/s1