azane; [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: azane; [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: ammonia; [(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: ammonia; [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(phenylmethyl)amino]-9-purinyl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: azane; [(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: ammonia; [(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C17H26N7O7P MolecularWeight: 471.404801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)COP(=O)(O)O)O)O.N.N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O.N.N

InChI

InChI=1S/C17H20N5O7P.2H3N/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10;;/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27);2*1H3/t11-,13-,14-,17-;;/m1../s1