2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4/c1-20(13-14-21-9-5-3-6-10-21)29-23(33)18-32-26(34)24-25(28-19-30(24)15-16-36-2)31(27(32)35)17-22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3,(H,29,33)/t20-/m1/s1