4-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxycarbonyl-propyl]benzoic acid CAS Name: 4-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-methoxy-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbomethoxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoic acid Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4/c1-3-19(17(28)29-2,11-6-4-10(5-7-11)16(26)27)8-12-9-22-15-13(23-12)14(20)24-18(21)25-15/h4-7,9H,3,8H2,1-2H3,(H,26,27)(H4,20,21,22,24,25)