5-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]phenyl]-5-oxopentanoic acid Traditional Name: 5-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]-5-keto-valeric acid Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)CCCC(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)CCCC(=O)O

InChI

InChI=1S/C19H21N7O3/c1-26(10-12-9-22-18-16(23-12)17(20)24-19(21)25-18)13-7-5-11(6-8-13)14(27)3-2-4-15(28)29/h5-9H,2-4,10H2,1H3,(H,28,29)(H4,20,21,22,24,25)