methyl 4-[4-[2,4-bis(azanyl)pteridin-6-yl]but-1-en-2-yl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=C)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=C)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C18H18N6O2/c1-10(11-4-6-12(7-5-11)17(25)26-2)3-8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h4-7,9H,1,3,8H2,2H3,(H4,19,20,21,23,24)