[[4-(anthracen-2-ylamino)-4-oxidanylidene-butoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[4-(anthracen-2-ylamino)-4-oxidanylidene-butoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [4-(2-anthrylamino)-4-oxo-butyl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [4-(2-anthracenylamino)-4-oxobutyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-(anthracen-2-ylamino)-4-oxobutyl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [4-(2-anthrylamino)-4-keto-butyl] hydrogen phosphate Formula: C28H30N6O12P2 MolecularWeight: 704.518322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC(=O)CCCOP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5NC(=NC6=O)N)O)O

Isomeric SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC(=O)CCCOP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O

InChI

InChI=1S/C28H30N6O12P2/c29-28-32-25-22(26(38)33-28)30-14-34(25)27-24(37)23(36)20(45-27)13-44-48(41,42)46-47(39,40)43-9-3-6-21(35)31-19-8-7-17-10-15-4-1-2-5-16(15)11-18(17)12-19/h1-2,4-5,7-8,10-12,14,20,23-24,27,36-37H,3,6,9,13H2,(H,31,35)(H,39,40)(H,41,42)(H3,29,32,33,38)/t20-,23-,24-,27-/m1/s1