1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-7H-purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-7H-purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-7H-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(1-pyrrolidinyl)-7H-purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-7H-purine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3-methyl-8-pyrrolidino-7H-purine-2,6-quinone Formula: C17H17Cl2N5O2 MolecularWeight: 394.25518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=C(C=C(C=C3)Cl)Cl)NC(=N2)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=C(C=C(C=C3)Cl)Cl)NC(=N2)N4CCCC4

InChI

InChI=1S/C17H17Cl2N5O2/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,(H,20,21)