1-(cyclopropylmethyl)-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(cyclopropylmethyl)-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-benzyl-1-(cyclopropylmethyl)purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-7-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-(cyclopropylmethyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-benzyl-1-(cyclopropylmethyl)xanthine Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4CC4

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C19H20N4O3/c1-13(24)9-21-12-20-17-16(21)18(25)23(11-15-7-8-15)19(26)22(17)10-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3