methyl 2-[8-azanyl-1,3-bis(cyclopropylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[8-azanyl-1,3-bis(cyclopropylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]sulfonylbenzoate Openeye Name: methyl 2-[8-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxo-purin-7-yl]sulfonylbenzoate CAS Name: 2-[[8-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxo-7-purinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[8-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopurin-7-yl]sulfonylbenzoate Traditional Name: 2-[8-amino-1,3-bis(cyclopropylmethyl)-2,6-diketo-purin-7-yl]sulfonylbenzoic acid methyl ester Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C21H23N5O6S/c1-32-19(28)14-4-2-3-5-15(14)33(30,31)26-16-17(23-20(26)22)24(10-12-6-7-12)21(29)25(18(16)27)11-13-8-9-13/h2-5,12-13H,6-11H2,1H3,(H2,22,23)