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

Systemtic Name: methyl 1-[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H21N5O4/c1-25-18(24)11-4-6-23(7-5-11)17-15(19)16(20-9-21-17)22-12-2-3-13-14(8-12)27-10-26-13/h2-3,8-9,11H,4-7,10,19H2,1H3,(H,20,21,22)