ethyl 1-[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H23N5O4/c1-2-26-19(25)12-4-3-7-24(9-12)18-16(20)17(21-10-22-18)23-13-5-6-14-15(8-13)28-11-27-14/h5-6,8,10,12H,2-4,7,9,11,20H2,1H3,(H,21,22,23)