4-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid

Systemtic Name: 4-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid Openeye Name: 4-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid CAS Name: 4-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid IUPAC Name: 4-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid Traditional Name: 4-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butyric acid Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCCC(=O)O)NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCCC(=O)O)NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2/c1-11-19-14-10-13(12-6-3-2-4-7-12)21-16(14)17(20-11)18-9-5-8-15(22)23/h2-4,6-7,10,21H,5,8-9H2,1H3,(H,22,23)(H,18,19,20)