3-methyl-7-(2-phenoxyethyl)-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-phenoxyethyl)-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-phenoxyethyl)-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-phenoxyethyl)-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCOC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3/c1-3-9-18-16-19-14-13(15(23)20-17(24)21(14)2)22(16)10-11-25-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,18,19)(H,20,23,24)