2-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]ethanamine

Systemtic Name: 2-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]ethanamine Openeye Name: 2-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]ethanamine CAS Name: 2-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]ethanamine IUPAC Name: 2-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]ethanamine Traditional Name: 2-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]ethylamine Formula: C12H19N7 MolecularWeight: 261.32616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)CCN

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)CCN

InChI

InChI=1S/C12H19N7/c13-2-5-18-3-1-4-19(7-6-18)12-10-11(15-8-14-10)16-9-17-12/h8-9H,1-7,13H2,(H,14,15,16,17)