8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C20H23N7O3/c1-25-17-16(18(28)24-20(25)29)27(12-13-30-15-6-3-2-4-7-15)19(23-17)22-8-5-10-26-11-9-21-14-26/h2-4,6-7,9,11,14H,5,8,10,12-13H2,1H3,(H,22,23)(H,24,28,29)