1,3-dimethyl-7-phenethyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2/c1-4-11-19-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)12-10-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3,(H,19,20)