2-methylpropyl N-[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[(phenylmethyl)amino]phosphoryl]carbamate

Systemtic Name: 2-methylpropyl N-[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[(phenylmethyl)amino]phosphoryl]carbamate Openeye Name: isobutyl N-[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(benzylamino)phosphoryl]carbamate CAS Name: N-[2-[2-amino-6-(cyclopropylamino)-9-purinyl]ethoxymethyl-[(phenylmethyl)amino]phosphoryl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(benzylamino)phosphoryl]carbamate Traditional Name: N-[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(benzylamino)phosphoryl]carbamic acid isobutyl ester Formula: C23H33N8O4P MolecularWeight: 516.533081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)NCC4=CC=CC=C4

InChI

InChI=1S/C23H33N8O4P/c1-16(2)13-35-23(32)30-36(33,26-12-17-6-4-3-5-7-17)15-34-11-10-31-14-25-19-20(27-18-8-9-18)28-22(24)29-21(19)31/h3-7,14,16,18H,8-13,15H2,1-2H3,(H3,24,27,28,29)(H2,26,30,32,33)