2-azanyl-4-oxidanylidene-6-[[[4-[(1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]amino]methyl]-1,7-dihydropteridine-8-carboxylate

Systemtic Name: 2-azanyl-4-oxidanylidene-6-[[[4-[(1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]amino]methyl]-1,7-dihydropteridine-8-carboxylate Openeye Name: 2-amino-6-[[4-(1-carboxybutylcarbamoyl)anilino]methyl]-4-oxo-1,7-dihydropteridine-8-carboxylate CAS Name: 2-amino-6-[[4-[[(1-hydroxy-1-oxopentan-2-yl)amino]-oxomethyl]anilino]methyl]-4-oxo-1,7-dihydropteridine-8-carboxylate IUPAC Name: 2-amino-6-[[4-[(1-hydroxy-1-oxopentan-2-yl)carbamoyl]anilino]methyl]-4-oxo-1,7-dihydropteridine-8-carboxylate Traditional Name: 2-amino-6-[[4-(1-carboxybutylcarbamoyl)anilino]methyl]-4-keto-1,7-dihydropteridine-8-carboxylate Formula: C20H22N7O6- MolecularWeight: 456.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(NC(=NC3=O)N)N(C2)C(=O)[O-]

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(NC(=NC3=O)N)N(C2)C(=O)[O-]

InChI

InChI=1S/C20H23N7O6/c1-2-3-13(18(30)31)24-16(28)10-4-6-11(7-5-10)22-8-12-9-27(20(32)33)15-14(23-12)17(29)26-19(21)25-15/h4-7,13,22H,2-3,8-9H2,1H3,(H,24,28)(H,30,31)(H,32,33)(H3,21,25,26,29)/p-1