[5-aminocarbonyl-3-azanyl-4-(5-azanylpyrimidin-4-yl)-2-cyclopentyl-phenyl]methyl benzoate

Systemtic Name: [5-aminocarbonyl-3-azanyl-4-(5-azanylpyrimidin-4-yl)-2-cyclopentyl-phenyl]methyl benzoate Openeye Name: [3-amino-4-(5-aminopyrimidin-4-yl)-5-carbamoyl-2-cyclopentyl-phenyl]methyl benzoate CAS Name: benzoic acid [3-amino-4-(5-amino-4-pyrimidinyl)-5-carbamoyl-2-cyclopentylphenyl]methyl ester IUPAC Name: [3-amino-4-(5-aminopyrimidin-4-yl)-5-carbamoyl-2-cyclopentylphenyl]methyl benzoate Traditional Name: benzoic acid [3-amino-4-(5-aminopyrimidin-4-yl)-5-carbamoyl-2-cyclopentyl-benzyl] ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C=C(C(=C2N)C3=NC=NC=C3N)C(=O)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2=C(C=C(C(=C2N)C3=NC=NC=C3N)C(=O)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c25-18-11-28-13-29-22(18)20-17(23(27)30)10-16(19(21(20)26)14-6-4-5-7-14)12-32-24(31)15-8-2-1-3-9-15/h1-3,8-11,13-14H,4-7,12,25-26H2,(H2,27,30)