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

Systemtic Name: 2-azanyl-9-[(1-pentoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-pentoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-pentoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-pentoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(amoxymethyl)-2-benzoxy-ethoxy]methyl]-3H-purin-6-one Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4/c1-2-3-7-10-28-12-17(13-29-11-16-8-5-4-6-9-16)30-15-26-14-23-18-19(26)24-21(22)25-20(18)27/h4-6,8-9,14,17H,2-3,7,10-13,15H2,1H3,(H3,22,24,25,27)