6-azanyl-N-(cyclopropylmethyl)-7-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]-8-oxidanylidene-9-(phenylmethyl)purine-2-carboxamide

Systemtic Name: 6-azanyl-N-(cyclopropylmethyl)-7-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]-8-oxidanylidene-9-(phenylmethyl)purine-2-carboxamide Openeye Name: 6-amino-9-benzyl-N-(cyclopropylmethyl)-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-8-oxo-purine-2-carboxamide CAS Name: 6-amino-N-(cyclopropylmethyl)-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-8-oxo-9-(phenylmethyl)-2-purinecarboxamide IUPAC Name: 6-amino-9-benzyl-N-(cyclopropylmethyl)-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-8-oxopurine-2-carboxamide Traditional Name: 6-amino-9-benzyl-N-(cyclopropylmethyl)-8-keto-7-[(2-keto-5-methyl-1,3-dioxol-4-yl)methyl]purine-2-carboxamide Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)CN2C3=C(N=C(N=C3N)C(=O)NCC4CC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(OC(=O)O1)CN2C3=C(N=C(N=C3N)C(=O)NCC4CC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H22N6O5/c1-12-15(33-22(31)32-12)11-27-16-17(23)25-18(20(29)24-9-13-7-8-13)26-19(16)28(21(27)30)10-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,24,29)(H2,23,25,26)