11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecan-2-yl ethanoate; ethanamide; methylcycloundecane

Systemtic Name: 11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecan-2-yl ethanoate; ethanamide; methylcycloundecane Openeye Name: acetamide; [10-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-decyl] acetate; methylcycloundecane CAS Name: acetamide; acetic acid 11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecan-2-yl ester; methylcycloundecane IUPAC Name: acetamide; 11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl acetate; methylcycloundecane Traditional Name: acetamide; acetic acid [10-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-decyl] ester; methylcycloundecane Formula: C34H61N5O5 MolecularWeight: 619.87864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCCCCCC1.CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C.CC(=O)N

Isomeric SMILES

CC1CCCCCCCCCC1.CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C.CC(=O)N

InChI

InChI=1S/C20H32N4O4.C12H24.C2H5NO/c1-15(28-16(2)25)12-10-8-6-5-7-9-11-13-24-19(26)17-18(21-14-22(17)3)23(4)20(24)27;1-12-10-8-6-4-2-3-5-7-9-11-12;1-2(3)4/h14-15H,5-13H2,1-4H3;12H,2-11H2,1H3;1H3,(H2,3,4)