2-methylidenehexanoate; N-(phenylmethyl)-7H-purin-6-amine

Systemtic Name: 2-methylidenehexanoate; N-(phenylmethyl)-7H-purin-6-amine Openeye Name: N-benzyl-7H-purin-6-amine; 2-methylenehexanoate CAS Name: 2-methylenehexanoate; N-(phenylmethyl)-7H-purin-6-amine IUPAC Name: N-benzyl-7H-purin-6-amine; 2-methylidenehexanoate Traditional Name: benzyl(7H-purin-6-yl)amine; 2-butylacrylate Formula: C19H22N5O2- MolecularWeight: 352.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)[O-].C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCCCC(=C)C(=O)[O-].C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H11N5.C7H12O2/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-3-4-5-6(2)7(8)9/h1-5,7-8H,6H2,(H2,13,14,15,16,17);2-5H2,1H3,(H,8,9)/p-1