8-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N5O3/c1-3-16-34-27-25(29(37)35(17-4-2)30(34)38)31-26(32-27)23-10-12-24(13-11-23)28(36)33-18-14-22(15-19-33)20-21-8-6-5-7-9-21/h5-13,22H,3-4,14-20H2,1-2H3,(H,31,32)