7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(piperidin-1-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-3-methyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-3-methyl-8-(piperidinomethyl)xanthine Formula: C19H21Cl2N5O2 MolecularWeight: 422.30834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H21Cl2N5O2/c1-24-17-16(18(27)23-19(24)28)26(10-12-5-6-13(20)9-14(12)21)15(22-17)11-25-7-3-2-4-8-25/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,23,27,28)