(Z)-2-[9-(oxan-2-yl)purin-6-yl]-N-(phenylmethyl)ethenamine

Systemtic Name: (Z)-2-[9-(oxan-2-yl)purin-6-yl]-N-(phenylmethyl)ethenamine Openeye Name: (Z)-N-benzyl-2-(9-tetrahydropyran-2-ylpurin-6-yl)ethenamine CAS Name: (Z)-2-[9-(2-oxanyl)-6-purinyl]-N-(phenylmethyl)ethenamine IUPAC Name: (Z)-N-benzyl-2-[9-(oxan-2-yl)purin-6-yl]ethenamine Traditional Name: benzyl-[(Z)-2-(9-tetrahydropyran-2-ylpurin-6-yl)vinyl]amine Formula: C19H21N5O MolecularWeight: 335.40294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C=CNCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)/C=C\NCC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O/c1-2-6-15(7-3-1)12-20-10-9-16-18-19(22-13-21-16)24(14-23-18)17-8-4-5-11-25-17/h1-3,6-7,9-10,13-14,17,20H,4-5,8,11-12H2/b10-9-