5-azanyl-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]-2-methyl-imidazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]-2-methyl-imidazole-4-carboxamide Openeye Name: 5-amino-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]-2-methyl-imidazole-4-carboxamide CAS Name: 5-amino-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)-1-oxoundecyl]-1-piperazinyl]ethyl]-2-methyl-4-imidazolecarboxamide IUPAC Name: 5-amino-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]-2-methylimidazole-4-carboxamide Traditional Name: 5-amino-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazino]ethyl]-2-methyl-imidazole-4-carboxamide Formula: C27H45N11O2 MolecularWeight: 555.7187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3C4=C(NC=N3)N=CN4)N)C(=O)N

Isomeric SMILES

CC1=NC(=C(N1CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3C4=C(NC=N3)N=CN4)N)C(=O)N

InChI

InChI=1S/C27H45N11O2/c1-20-35-22(25(29)40)24(28)38(20)17-14-36-12-15-37(16-13-36)21(39)10-8-6-4-2-3-5-7-9-11-30-26-23-27(32-18-31-23)34-19-33-26/h18-19,26,30H,2-17,28H2,1H3,(H2,29,40)(H,31,32)(H,33,34)