methyl 4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazine-1-carboxylic acid methyl ester Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O2/c1-3-9-22-18-17-19(28(15-23-17)14-16-7-5-4-6-8-16)25-20(24-18)26-10-12-27(13-11-26)21(29)30-2/h3-8,15H,1,9-14H2,2H3,(H,22,24,25)