[6-azanyl-2-(cyclopropylmethylcarbamoyl)-8-oxidanylidene-9-(phenylmethyl)purin-7-yl] ethyl carbonate

Systemtic Name: [6-azanyl-2-(cyclopropylmethylcarbamoyl)-8-oxidanylidene-9-(phenylmethyl)purin-7-yl] ethyl carbonate Openeye Name: [6-amino-9-benzyl-2-(cyclopropylmethylcarbamoyl)-8-oxo-purin-7-yl] ethyl carbonate CAS Name: carbonic acid [6-amino-2-[(cyclopropylmethylamino)-oxomethyl]-8-oxo-9-(phenylmethyl)-7-purinyl] ethyl ester IUPAC Name: [6-amino-9-benzyl-2-(cyclopropylmethylcarbamoyl)-8-oxopurin-7-yl] ethyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(cyclopropylmethylcarbamoyl)-8-keto-purin-7-yl] ethyl ester Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)ON1C2=C(N=C(N=C2N)C(=O)NCC3CC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)ON1C2=C(N=C(N=C2N)C(=O)NCC3CC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O5/c1-2-30-20(29)31-26-14-15(21)23-16(18(27)22-10-12-8-9-12)24-17(14)25(19(26)28)11-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,22,27)(H2,21,23,24)