1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ium-1-ylidene-purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ium-1-ylidene-purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ium-1-ylidene-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(1-pyrrolidin-1-iumylidene)purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ium-1-ylidenepurine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3-methyl-8-pyrrolidin-1-ium-1-ylidene-xanthine Formula: C17H16Cl2N5O2+ MolecularWeight: 393.24724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+]3CCCC3)N=C2C(=O)N(C1=O)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=NC(=[N+]3CCCC3)N=C2C(=O)N(C1=O)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H16Cl2N5O2/c1-22-14-13(20-16(21-14)23-6-2-3-7-23)15(25)24(17(22)26)9-10-4-5-11(18)8-12(10)19/h4-5,8H,2-3,6-7,9H2,1H3/q+1