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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C18H23N5O3/c1-2-25-18(24)13-7-3-4-8-14(13)23-17-15(19)16(21-11-22-17)20-10-12-6-5-9-26-12/h3-4,7-8,11-12H,2,5-6,9-10,19H2,1H3,(H2,20,21,22,23)