2-azanyl-9-[phenoxy(3-phenoxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[phenoxy(3-phenoxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[phenoxy(3-phenoxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[phenoxy(3-phenoxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[phenoxy(3-phenoxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[phenoxy(3-phenoxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCOC3=CC=CC=C3)OC4=CC=CC=C4)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCOC3=CC=CC=C3)OC4=CC=CC=C4)NC(=NC2=O)N

InChI

InChI=1S/C21H23N5O4/c22-20-24-18-17(19(27)25-20)23-14-26(18)21(30-16-10-5-2-6-11-16)29-13-7-12-28-15-8-3-1-4-9-15/h1-6,8-11,21,23H,7,12-14H2,(H3,22,24,25,27)