ethyl 4-azanyl-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxylate CAS Name: 4-amino-2-[3-(1-imidazolyl)propylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H18N6O2 MolecularWeight: 290.32102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)NCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)NCCCN2C=CN=C2

InChI

InChI=1S/C13H18N6O2/c1-2-21-12(20)10-8-17-13(18-11(10)14)16-4-3-6-19-7-5-15-9-19/h5,7-9H,2-4,6H2,1H3,(H3,14,16,17,18)