ethyl 2-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: ethyl 2-(7-benzyl-3-methyl-8-morpholino-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[3-methyl-8-(4-morpholinyl)-2,6-dioxo-7-(phenylmethyl)-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-benzyl-3-methyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(7-benzyl-2,6-diketo-3-methyl-8-morpholino-purin-1-yl)acetic acid ethyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCOCC4)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCOCC4)N(C1=O)C

InChI

InChI=1S/C21H25N5O5/c1-3-31-16(27)14-26-19(28)17-18(23(2)21(26)29)22-20(24-9-11-30-12-10-24)25(17)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3