N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine

Systemtic Name: N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine Openeye Name: N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-[2-(1-piperidyl)ethyl]purin-6-amine CAS Name: N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-[2-(1-piperidinyl)ethyl]-6-purinamine IUPAC Name: N,N-bis(2-methoxyethyl)-2-methyl-8-phenyl-9-(2-piperidin-1-ylethyl)purin-6-amine Traditional Name: bis(2-methoxyethyl)-[2-methyl-8-phenyl-9-(2-piperidinoethyl)purin-6-yl]amine Formula: C25H36N6O2 MolecularWeight: 452.59234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=C(N2CCN3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=C(N2CCN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H36N6O2/c1-20-26-24(30(16-18-32-2)17-19-33-3)22-25(27-20)31(15-14-29-12-8-5-9-13-29)23(28-22)21-10-6-4-7-11-21/h4,6-7,10-11H,5,8-9,12-19H2,1-3H3