3-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C13H19ClN7O+ MolecularWeight: 324.78926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H18ClN7O/c1-20-4-6-21(7-5-20)9(22)2-3-15-11-10-12(17-8-16-10)19-13(14)18-11/h8H,2-7H2,1H3,(H2,15,16,17,18,19)/p+1