dimethyl 2-[(2-azanylpurin-9-yl)methyl]butanedioate

Systemtic Name: dimethyl 2-[(2-azanylpurin-9-yl)methyl]butanedioate Openeye Name: dimethyl 2-[(2-aminopurin-9-yl)methyl]butanedioate CAS Name: 2-[(2-amino-9-purinyl)methyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-aminopurin-9-yl)methyl]butanedioate Traditional Name: 2-[(2-aminopurin-9-yl)methyl]succinic acid dimethyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CN1C=NC2=CN=C(N=C21)N)C(=O)OC

Isomeric SMILES

COC(=O)CC(CN1C=NC2=CN=C(N=C21)N)C(=O)OC

InChI

InChI=1S/C12H15N5O4/c1-20-9(18)3-7(11(19)21-2)5-17-6-15-8-4-14-12(13)16-10(8)17/h4,6-7H,3,5H2,1-2H3,(H2,13,14,16)