Molecule ID: 135398740

IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one

Description: The molecule is an oxopurine that is guanine substituted by a [(1,3-dihydroxypropan-2-yl)oxy]methyl group at position 9. Ganciclovir is an antiviral drug used to treat or prevent AIDS-related cytomegalovirus infections. It has a role as an antiviral drug and an antiinfective agent. It is an oxopurine and a member of 2-aminopurines. It derives from a guanine.

SMILES: N=c1nc(O)c2ncn(COC(CO)CO)c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][N][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][=Ring1][N][NH1][Ring1][P]

InChI: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -2.5