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

Systemtic Name: ethyl 4-[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H22N6O4/c1-2-26-18(25)24-7-5-23(6-8-24)17-15(19)16(20-10-21-17)22-12-3-4-13-14(9-12)28-11-27-13/h3-4,9-10H,2,5-8,11,19H2,1H3,(H,20,21,22)