2-azanyl-9-[(1-octoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-octoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-octoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-octoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-octoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-octoxy-ethoxy]methyl]-3H-purin-6-one Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCCCCCCCOCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C24H35N5O4/c1-2-3-4-5-6-10-13-31-15-20(16-32-14-19-11-8-7-9-12-19)33-18-29-17-26-21-22(29)27-24(25)28-23(21)30/h7-9,11-12,17,20H,2-6,10,13-16,18H2,1H3,(H3,25,27,28,30)