8-(1-oxidanyl-3-phenyl-propan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(1-oxidanyl-3-phenyl-propan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzyl-2-hydroxy-ethyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-hydroxy-3-phenylpropan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-hydroxy-3-phenylpropan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzyl-2-hydroxy-ethyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(CC3=CC=CC=C3)CO

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H26N4O3/c1-3-10-23-18-16(19(26)24(11-4-2)20(23)27)21-17(22-18)15(13-25)12-14-8-6-5-7-9-14/h5-9,15,25H,3-4,10-13H2,1-2H3,(H,21,22)