3-methyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-phenacyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-8-(piperidinomethyl)xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O3/c1-23-18-17(19(27)22-20(23)28)25(12-15(26)14-8-4-2-5-9-14)16(21-18)13-24-10-6-3-7-11-24/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,22,27,28)