7-cyclopentyl-1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]xanthine Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C4=C(N=CN4C5CCCC5)N(C3=O)CC6=CC=CC=C6

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CN3C(=O)C4=C(N=CN4C5CCCC5)N(C3=O)CC6=CC=CC=C6

InChI

InChI=1S/C28H29N5O3/c1-19-15-21-11-5-8-14-23(21)33(19)24(34)17-31-27(35)25-26(29-18-32(25)22-12-6-7-13-22)30(28(31)36)16-20-9-3-2-4-10-20/h2-5,8-11,14,18-19,22H,6-7,12-13,15-17H2,1H3/t19-/m0/s1