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ethyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]benzoate

ethyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]benzoate

Systemtic Name:ethyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]benzoate
Openeye Name:ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoate
CAS Name:4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoate
Traditional Name:4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoic acid ethyl ester
Formula: C18H21N7O2
MolecularWeight: 367.40504
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H21N7O2/c1-3-25(13-7-5-11(6-8-13)17(26)27-4-2)10-12-9-21-16-14(22-12)15(19)23-18(20)24-16/h5-9H,3-4,10H2,1-2H3,(H4,19,20,21,23,24)


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