[2-azanyl-6-(cyclopropylamino)purin-9-yl] benzoate; cyclopent-2-en-1-ylmethanol

Systemtic Name: [2-azanyl-6-(cyclopropylamino)purin-9-yl] benzoate; cyclopent-2-en-1-ylmethanol Openeye Name: [2-amino-6-(cyclopropylamino)purin-9-yl] benzoate; cyclopent-2-en-1-ylmethanol CAS Name: benzoic acid [2-amino-6-(cyclopropylamino)-9-purinyl] ester; 1-cyclopent-2-enylmethanol IUPAC Name: [2-amino-6-(cyclopropylamino)purin-9-yl] benzoate; cyclopent-2-en-1-ylmethanol Traditional Name: benzoic acid [2-amino-6-(cyclopropylamino)purin-9-yl] ester; cyclopent-2-en-1-ylmethanol Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)CO.C1CC1NC2=NC(=NC3=C2N=CN3OC(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1CC(C=C1)CO.C1CC1NC2=NC(=NC3=C2N=CN3OC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C15H14N6O2.C6H10O/c16-15-19-12(18-10-6-7-10)11-13(20-15)21(8-17-11)23-14(22)9-4-2-1-3-5-9;7-5-6-3-1-2-4-6/h1-5,8,10H,6-7H2,(H3,16,18,19,20);1,3,6-7H,2,4-5H2