N-(2-thiophen-3-ylethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine

Systemtic Name: N-(2-thiophen-3-ylethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine Openeye Name: N-[2-(3-thienyl)ethyl]-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine CAS Name: N-[2-(3-thiophenyl)ethyl]-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine IUPAC Name: N-(2-thiophen-3-ylethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine Traditional Name: 7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl-[2-(3-thienyl)ethyl]amine Formula: C16H19N5S MolecularWeight: 313.42056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)N=CN=C3NCCC4=CSC=C4

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)N=CN=C3NCCC4=CSC=C4

InChI

InChI=1S/C16H19N5S/c1-2-4-13-20-14-15(17-7-5-12-6-9-22-10-12)18-11-19-16(14)21(13)8-3-1/h6,9-11H,1-5,7-8H2,(H,17,18,19)