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

Systemtic Name: 8-(2-azanylethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3/c1-21-13-12(14(23)20-16(21)24)22(15(19-13)18-8-7-17)9-10-25-11-5-3-2-4-6-11/h2-6H,7-10,17H2,1H3,(H,18,19)(H,20,23,24)