ethyl 4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C18H23N5O3/c1-2-25-18(24)12-5-7-13(8-6-12)23-17-15(19)16(21-11-22-17)20-10-14-4-3-9-26-14/h5-8,11,14H,2-4,9-10,19H2,1H3,(H2,20,21,22,23)