[(2R,3S,4R,5R)-5-(4-azanyl-6-bromanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; N,N-diethylethanamine

Systemtic Name: [(2R,3S,4R,5R)-5-(4-azanyl-6-bromanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; N,N-diethylethanamine Openeye Name: [(2R,3S,4R,5R)-5-(4-amino-6-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; N,N-diethylethanamine CAS Name: [(2R,3S,4R,5R)-5-(4-amino-6-bromo-7-pyrrolo[2,3-d]pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate; N,N-diethylethanamine IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; N,N-diethylethanamine Traditional Name: [(2R,3S,4R,5R)-5-(4-amino-6-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; triethylamine Formula: C17H29BrN5O7P MolecularWeight: 526.319221

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=C(N(C2=C1C(=NC=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O)Br

Isomeric SMILES

CCN(CC)CC.C1=C(N(C2=C1C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Br

InChI

InChI=1S/C11H14BrN4O7P.C6H15N/c12-6-1-4-9(13)14-3-15-10(4)16(6)11-8(18)7(17)5(23-11)2-22-24(19,20)21;1-4-7(5-2)6-3/h1,3,5,7-8,11,17-18H,2H2,(H2,13,14,15)(H2,19,20,21);4-6H2,1-3H3/t5-,7-,8-,11-;/m1./s1