methyl 8-(dicyclopropylmethyl)-2,6-bis(oxidanylidene)-1,3-dipropyl-purine-7-carboxylate

Systemtic Name: methyl 8-(dicyclopropylmethyl)-2,6-bis(oxidanylidene)-1,3-dipropyl-purine-7-carboxylate Openeye Name: methyl 8-(dicyclopropylmethyl)-2,6-dioxo-1,3-dipropyl-purine-7-carboxylate CAS Name: 8-(dicyclopropylmethyl)-2,6-dioxo-1,3-dipropyl-7-purinecarboxylic acid methyl ester IUPAC Name: methyl 8-(dicyclopropylmethyl)-2,6-dioxo-1,3-dipropylpurine-7-carboxylate Traditional Name: 8-(dicyclopropylmethyl)-2,6-diketo-1,3-dipropyl-purine-7-carboxylic acid methyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C(C3CC3)C4CC4)C(=O)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C(C3CC3)C4CC4)C(=O)OC

InChI

InChI=1S/C20H28N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)24(20(27)28-3)16(21-17)14(12-6-7-12)13-8-9-13/h12-14H,4-11H2,1-3H3