N-ethyl-4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-ethyl-4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: N-ethyl-4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]-N-ethyl-piperazine-1-carboxamide Formula: C22H28N8O MolecularWeight: 420.51072

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C22H28N8O/c1-3-10-24-19-18-20(30(16-25-18)15-17-8-6-5-7-9-17)27-21(26-19)28-11-13-29(14-12-28)22(31)23-4-2/h3,5-9,16H,1,4,10-15H2,2H3,(H,23,31)(H,24,26,27)