5-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-carboxylic acid

Systemtic Name: 5-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-carboxylic acid Openeye Name: 5-(6-amino-9-phenethyl-purin-8-yl)furan-2-carboxylic acid CAS Name: 5-(6-amino-9-phenethyl-8-purinyl)-2-furancarboxylic acid IUPAC Name: 5-(6-amino-9-phenethylpurin-8-yl)furan-2-carboxylic acid Traditional Name: 5-(6-amino-9-phenethyl-purin-8-yl)-2-furoic acid Formula: C18H15N5O3 MolecularWeight: 349.3434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)C(=O)O

InChI

InChI=1S/C18H15N5O3/c19-15-14-17(21-10-20-15)23(9-8-11-4-2-1-3-5-11)16(22-14)12-6-7-13(26-12)18(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,19,20,21)