3-[2-azanyl-2-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-1,3-dihydropurin-9-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-2-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-1,3-dihydropurin-9-yl]propanoic acid Openeye Name: 3-[2-amino-2-[(3,4-dichlorophenyl)methyl]-6-oxo-1,3-dihydropurin-9-yl]propanoic acid CAS Name: 3-[2-amino-2-[(3,4-dichlorophenyl)methyl]-6-oxo-1,3-dihydropurin-9-yl]propanoic acid IUPAC Name: 3-[2-amino-2-[(3,4-dichlorophenyl)methyl]-6-oxo-1,3-dihydropurin-9-yl]propanoic acid Traditional Name: 3-[2-amino-2-(3,4-dichlorobenzyl)-6-keto-1,3-dihydropurin-9-yl]propionic acid Formula: C15H15Cl2N5O3 MolecularWeight: 384.2173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2(NC3=C(C(=O)N2)N=CN3CCC(=O)O)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2(NC3=C(C(=O)N2)N=CN3CCC(=O)O)N)Cl)Cl

InChI

InChI=1S/C15H15Cl2N5O3/c16-9-2-1-8(5-10(9)17)6-15(18)20-13-12(14(25)21-15)19-7-22(13)4-3-11(23)24/h1-2,5,7,20H,3-4,6,18H2,(H,21,25)(H,23,24)