2-methylpropyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate

Systemtic Name: 2-methylpropyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate Openeye Name: isobutyl 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[2-amino-6-(prop-2-enylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propionic acid isobutyl ester Formula: C30H38N7O5P MolecularWeight: 607.640381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NCC=C)N)OC4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C(CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NCC=C)N)OC4=CC=CC=C4

InChI

InChI=1S/C30H38N7O5P/c1-4-15-32-27-26-28(35-30(31)34-27)37(20-33-26)16-17-40-21-43(39,42-24-13-9-6-10-14-24)36-25(29(38)41-19-22(2)3)18-23-11-7-5-8-12-23/h4-14,20,22,25H,1,15-19,21H2,2-3H3,(H,36,39)(H3,31,32,34,35)