6-[3-(2-azanylethyl)-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3-(2-azanylethyl)-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[3-(2-aminoethyl)-7-methyl-2,6-dioxo-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[3-(2-aminoethyl)-7-methyl-2,6-dioxo-1-purinyl]hexan-2-yl ester IUPAC Name: 6-[3-(2-aminoethyl)-7-methyl-2,6-dioxopurin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[3-(2-aminoethyl)-2,6-diketo-7-methyl-purin-1-yl]-1-methyl-pentyl] ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCN)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCN)OC(=O)C

InChI

InChI=1S/C16H25N5O4/c1-11(25-12(2)22)6-4-5-8-21-15(23)13-14(18-10-19(13)3)20(9-7-17)16(21)24/h10-11H,4-9,17H2,1-3H3