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

Systemtic Name: 2-azanyl-9-[(1-heptoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-heptoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-heptoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-heptoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-heptoxy-ethoxy]methyl]-3H-purin-6-one Formula: C23H33N5O4 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4/c1-2-3-4-5-9-12-30-14-19(15-31-13-18-10-7-6-8-11-18)32-17-28-16-25-20-21(28)26-23(24)27-22(20)29/h6-8,10-11,16,19H,2-5,9,12-15,17H2,1H3,(H3,24,26,27,29)