3-[2-azanyl-4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-5-yl]benzoic acid

Systemtic Name: 3-[2-azanyl-4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-5-yl]benzoic acid Openeye Name: 3-[2-amino-4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-5-yl]benzoic acid CAS Name: 3-[2-amino-4-[2-(3-hydroxypropylamino)-4-pyridinyl]-5-pyrimidinyl]benzoic acid IUPAC Name: 3-[2-amino-4-[2-(3-hydroxypropylamino)pyridin-4-yl]pyrimidin-5-yl]benzoic acid Traditional Name: 3-[2-amino-4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-5-yl]benzoic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CN=C(N=C2C3=CC(=NC=C3)NCCCO)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CN=C(N=C2C3=CC(=NC=C3)NCCCO)N

InChI

InChI=1S/C19H19N5O3/c20-19-23-11-15(12-3-1-4-14(9-12)18(26)27)17(24-19)13-5-7-22-16(10-13)21-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,21,22)(H,26,27)(H2,20,23,24)