9-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxy-butan-2-yl]oxymethyl]purin-6-amine

Systemtic Name: 9-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxy-butan-2-yl]oxymethyl]purin-6-amine Openeye Name: 9-[[(1S,2S)-2-benzyloxy-1-(diethoxyphosphorylmethyl)propoxy]methyl]purin-6-amine CAS Name: 9-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxybutan-2-yl]oxymethyl]-6-purinamine IUPAC Name: 9-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxybutan-2-yl]oxymethyl]purin-6-amine Traditional Name: [9-[[(1S,2S)-2-benzoxy-1-(diethoxyphosphorylmethyl)propoxy]methyl]purin-6-yl]amine Formula: C21H30N5O5P MolecularWeight: 463.467161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(C(C)OCC1=CC=CC=C1)OCN2C=NC3=C2N=CN=C3N)OCC

Isomeric SMILES

CCOP(=O)(C[C@H]([C@H](C)OCC1=CC=CC=C1)OCN2C=NC3=C2N=CN=C3N)OCC

InChI

InChI=1S/C21H30N5O5P/c1-4-30-32(27,31-5-2)12-18(16(3)28-11-17-9-7-6-8-10-17)29-15-26-14-25-19-20(22)23-13-24-21(19)26/h6-10,13-14,16,18H,4-5,11-12,15H2,1-3H3,(H2,22,23,24)/t16-,18+/m0/s1