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

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-prop-2-enyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[allyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-prop-2-enylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-enylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[allyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]glutaric acid Formula: C22H24N8O5 MolecularWeight: 480.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N8O5/c1-2-9-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h2-6,10,15H,1,7-9,11H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)