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8-[4-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

8-[4-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name:8-[4-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
Openeye Name:8-[4-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
CAS Name:8-[4-[amino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-1-piperazin-4-iumyl]-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name:8-[4-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
Traditional Name:8-[4-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-quinone
Formula: C18H25N10O2+
MolecularWeight: 413.4569
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)N)C


Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)N)C


InChI

InChI=1S/C18H24N10O2/c1-10-9-11(2)21-16(20-10)24-15(19)27-5-7-28(8-6-27)17-22-12-13(23-17)25(3)18(30)26(4)14(12)29/h9H,5-8H2,1-4H3,(H3,19,20,21,22,23,24,29)/p+1


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