ethyl 4-[5-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-amino-4-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-amino-4-(1,3-benzodioxol-5-ylmethylamino)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-4-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-4-(piperonylamino)pyrimidin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H24N6O4/c1-2-27-19(26)25-7-5-24(6-8-25)18-22-11-14(20)17(23-18)21-10-13-3-4-15-16(9-13)29-12-28-15/h3-4,9,11H,2,5-8,10,12,20H2,1H3,(H,21,22,23)