4-[[1,2-bis(azanyl)-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6,8-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,2-bis(azanyl)-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6,8-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1,2-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6,8-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 4-[[1,2-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6,8-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 4-[[1,2-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 4-[[1,2-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6,8-diketo-purin-7-yl]methyl]benzonitrile Formula: C18H19N7O6 MolecularWeight: 429.38676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(N=C(N(C3=O)N)N)N(C2=O)C4C(C(C(O4)CO)O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(N=C(N(C3=O)N)N)N(C2=O)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C#N

InChI

InChI=1S/C18H19N7O6/c19-5-8-1-3-9(4-2-8)6-23-11-14(22-17(20)25(21)15(11)29)24(18(23)30)16-13(28)12(27)10(7-26)31-16/h1-4,10,12-13,16,26-28H,6-7,21H2,(H2,20,22)/t10-,12-,13-,16-/m1/s1