N'-(7H-purin-6-yl)ethane-1,2-diamine; pyridine-3-carboxamide

Systemtic Name: N'-(7H-purin-6-yl)ethane-1,2-diamine; pyridine-3-carboxamide Openeye Name: N'-(7H-purin-6-yl)ethane-1,2-diamine; pyridine-3-carboxamide CAS Name: N'-(7H-purin-6-yl)ethane-1,2-diamine; 3-pyridinecarboxamide IUPAC Name: N'-(7H-purin-6-yl)ethane-1,2-diamine; pyridine-3-carboxamide Traditional Name: 2-aminoethyl(7H-purin-6-yl)amine; nicotinamide Formula: C13H16N8O MolecularWeight: 300.31914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(N1)C(=NC=N2)NCCN

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N.C1=NC2=C(N1)C(=NC=N2)NCCN

InChI

InChI=1S/C7H10N6.C6H6N2O/c8-1-2-9-6-5-7(11-3-10-5)13-4-12-6;7-6(9)5-2-1-3-8-4-5/h3-4H,1-2,8H2,(H2,9,10,11,12,13);1-4H,(H2,7,9)