8-[[4-(4-aminophenyl)phenyl]amino]-2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 8-[[4-(4-aminophenyl)phenyl]amino]-2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-[4-(4-aminophenyl)anilino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-[4-(4-aminophenyl)anilino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-[4-(4-aminophenyl)anilino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-benzidino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=O)N=C(N3)N)N=C2NC4=CC=C(C=C4)C5=CC=C(C=C5)N)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)N=C(N3)N)N=C2NC4=CC=C(C=C4)C5=CC=C(C=C5)N)CO)O

InChI

InChI=1S/C22H23N7O4/c23-13-5-1-11(2-6-13)12-3-7-14(8-4-12)25-22-26-18-19(27-21(24)28-20(18)32)29(22)17-9-15(31)16(10-30)33-17/h1-8,15-17,30-31H,9-10,23H2,(H,25,26)(H3,24,27,28,32)/t15-,16+,17+/m0/s1