7-butyl-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-(2-indan-5-yl-2-oxo-ethyl)purine-2,6-dione CAS Name: 7-butyl-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-(2-indan-5-yl-2-keto-ethyl)xanthine Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C27H28N4O3/c1-2-3-14-29-18-28-25-24(29)26(33)31(27(34)30(25)16-19-8-5-4-6-9-19)17-23(32)22-13-12-20-10-7-11-21(20)15-22/h4-6,8-9,12-13,15,18H,2-3,7,10-11,14,16-17H2,1H3