2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-4-cyano-pentanedioic acid

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-4-cyano-pentanedioic acid Openeye Name: 2-cyano-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-cyano-4-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-cyano-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-cyano-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C21H21N9O5 MolecularWeight: 479.44874

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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)NC(CC(C#N)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N9O5/c1-30(9-12-8-25-17-15(26-12)16(23)28-21(24)29-17)13-4-2-10(3-5-13)18(31)27-14(20(34)35)6-11(7-22)19(32)33/h2-5,8,11,14H,6,9H2,1H3,(H,27,31)(H,32,33)(H,34,35)(H4,23,24,25,28,29)