4-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]benzoic acid

Systemtic Name: 4-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]benzoic acid Openeye Name: 4-[1-carboxy-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-enyl]benzoic acid CAS Name: 4-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-hydroxy-1-oxopent-4-en-2-yl]benzoic acid IUPAC Name: 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-hydroxy-1-oxopent-4-en-2-yl]benzoic acid Traditional Name: 4-[1-carboxy-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-enyl]benzoic acid Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O4/c1-2-7-19(17(28)29,11-5-3-10(4-6-11)16(26)27)8-12-9-22-15-13(23-12)14(20)24-18(21)25-15/h2-6,9H,1,7-8H2,(H,26,27)(H,28,29)(H4,20,21,22,24,25)