9-[4-(4-oxidanylpiperidin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dichloride

Systemtic Name: 9-[4-(4-oxidanylpiperidin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dichloride Openeye Name: 2-anilino-9-[4-(4-hydroxy-1-piperidyl)butyl]-3H-purin-6-one dichloride CAS Name: 2-anilino-9-[4-(4-hydroxy-1-piperidinyl)butyl]-3H-purin-6-one dichloride IUPAC Name: 2-anilino-9-[4-(4-hydroxypiperidin-1-yl)butyl]-3H-purin-6-one dichloride Traditional Name: 2-anilino-9-[4-(4-hydroxypiperidino)butyl]-3H-purin-6-one dichloride Formula: C20H26Cl2N6O2-2 MolecularWeight: 453.36544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCC1O)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C20H26N6O2.2ClH/c27-16-8-12-25(13-9-16)10-4-5-11-26-14-21-17-18(26)23-20(24-19(17)28)22-15-6-2-1-3-7-15;;/h1-3,6-7,14,16,27H,4-5,8-13H2,(H2,22,23,24,28);2*1H/p-2