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

Systemtic Name: butyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C30H38N7O5P MolecularWeight: 607.640381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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