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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(3-methylpiperidin-1-ium-1-ylidene)purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(3-methylpiperidin-1-ium-1-ylidene)purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(3-methyl-1-piperidin-1-iumylidene)purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(3-methylpiperidin-1-ium-1-ylidene)purine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3-methyl-8-(3-methylpiperidin-1-ium-1-ylidene)xanthine Formula: C19H20Cl2N5O2+ MolecularWeight: 421.3004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+](=C2N=C3C(=N2)N(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)C)C1

Isomeric SMILES

CC1CCC[N+](=C2N=C3C(=N2)N(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)C)C1

InChI

InChI=1S/C19H20Cl2N5O2/c1-11-4-3-7-25(9-11)18-22-15-16(23-18)24(2)19(28)26(17(15)27)10-12-5-6-13(20)8-14(12)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3/q+1