1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(7H-purin-6-ylamino)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(7H-purin-6-ylamino)propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(7H-purin-6-ylamino)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(7H-purin-6-ylamino)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(7H-purin-6-ylamino)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(7H-purin-6-ylamino)propan-1-one Formula: C19H24N7O+ MolecularWeight: 366.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H23N7O/c27-16(6-7-20-18-17-19(22-13-21-17)24-14-23-18)26-10-8-25(9-11-26)12-15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,20,21,22,23,24)/p+1