8-(cyclopentylamino)-1-[(2,4-dichlorophenyl)methyl]-3-methyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-1-[(2,4-dichlorophenyl)methyl]-3-methyl-purin-3-ium-2,6-dione Openeye Name: 8-(cyclopentylamino)-1-[(2,4-dichlorophenyl)methyl]-3-methyl-purin-3-ium-2,6-dione CAS Name: 8-(cyclopentylamino)-1-[(2,4-dichlorophenyl)methyl]-3-methylpurin-3-ium-2,6-dione IUPAC Name: 8-(cyclopentylamino)-1-[(2,4-dichlorophenyl)methyl]-3-methylpurin-3-ium-2,6-dione Traditional Name: 8-(cyclopentylamino)-1-(2,4-dichlorobenzyl)-3-methyl-purin-3-ium-2,6-quinone Formula: C18H18Cl2N5O2+ MolecularWeight: 407.27382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=NC(=N2)NC3CCCC3)C(=O)N(C1=O)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C[N+]1=C2C(=NC(=N2)NC3CCCC3)C(=O)N(C1=O)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N5O2/c1-24-15-14(22-17(23-15)21-12-4-2-3-5-12)16(26)25(18(24)27)9-10-6-7-11(19)8-13(10)20/h6-8,12H,2-5,9H2,1H3/p+1