[2-azanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl] N-methyl-N-(2-methyl-4-nitro-phenyl)carbamate

Systemtic Name: [2-azanyl-9-(2-hydroxyethyloxymethyl)purin-6-yl] N-methyl-N-(2-methyl-4-nitro-phenyl)carbamate Openeye Name: [2-amino-9-(2-hydroxyethoxymethyl)purin-6-yl] N-methyl-N-(2-methyl-4-nitro-phenyl)carbamate CAS Name: N-methyl-N-(2-methyl-4-nitrophenyl)carbamic acid [2-amino-9-(2-hydroxyethoxymethyl)-6-purinyl] ester IUPAC Name: [2-amino-9-(2-hydroxyethoxymethyl)purin-6-yl] N-methyl-N-(2-methyl-4-nitrophenyl)carbamate Traditional Name: N-methyl-N-(2-methyl-4-nitro-phenyl)carbamic acid [2-amino-9-(2-hydroxyethoxymethyl)purin-6-yl] ester Formula: C17H19N7O6 MolecularWeight: 417.37606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N(C)C(=O)OC2=NC(=NC3=C2N=CN3COCCO)N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N(C)C(=O)OC2=NC(=NC3=C2N=CN3COCCO)N

InChI

InChI=1S/C17H19N7O6/c1-10-7-11(24(27)28)3-4-12(10)22(2)17(26)30-15-13-14(20-16(18)21-15)23(8-19-13)9-29-6-5-25/h3-4,7-8,25H,5-6,9H2,1-2H3,(H2,18,20,21)