2-azanyl-1-ethanoyl-9-[phenylmethoxy(3-phenylmethoxypropoxy)methyl]-7,8-dihydropurin-6-one

Systemtic Name: 2-azanyl-1-ethanoyl-9-[phenylmethoxy(3-phenylmethoxypropoxy)methyl]-7,8-dihydropurin-6-one Openeye Name: 1-acetyl-2-amino-9-[benzyloxy(3-benzyloxypropoxy)methyl]-7,8-dihydropurin-6-one CAS Name: 1-acetyl-2-amino-9-[phenylmethoxy(3-phenylmethoxypropoxy)methyl]-7,8-dihydropurin-6-one IUPAC Name: 1-acetyl-2-amino-9-[phenylmethoxy(3-phenylmethoxypropoxy)methyl]-7,8-dihydropurin-6-one Traditional Name: 1-acetyl-2-amino-9-[benzoxy(3-benzoxypropoxy)methyl]-7,8-dihydropurin-6-one Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)C2=C(N=C1N)N(CN2)C(OCCCOCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C(=O)C2=C(N=C1N)N(CN2)C(OCCCOCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O5/c1-18(31)30-23(32)21-22(28-24(30)26)29(17-27-21)25(35-16-20-11-6-3-7-12-20)34-14-8-13-33-15-19-9-4-2-5-10-19/h2-7,9-12,25,27H,8,13-17H2,1H3,(H2,26,28)