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

Systemtic Name: 4-[1-[2,4-bis(azanyl)pteridin-6-yl]pent-4-en-2-yl]benzoic acid Openeye Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]but-3-enyl]benzoic acid CAS Name: 4-[1-(2,4-diamino-6-pteridinyl)pent-4-en-2-yl]benzoic acid IUPAC Name: 4-[1-(2,4-diaminopteridin-6-yl)pent-4-en-2-yl]benzoic acid Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]but-3-enyl]benzoic acid Formula: C18H18N6O2 MolecularWeight: 350.37452

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2/c1-2-3-12(10-4-6-11(7-5-10)17(25)26)8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h2,4-7,9,12H,1,3,8H2,(H,25,26)(H4,19,20,21,23,24)