7-(1,3-benzodioxol-5-ylamino)-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-(1,3-benzodioxol-5-ylamino)-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-(1,3-benzodioxol-5-ylamino)-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-(1,3-benzodioxol-5-ylamino)-5-[2-(1-pyrrolidinyl)ethoxymethyl]-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(1,3-benzodioxol-5-ylamino)-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-(1,3-benzodioxol-5-ylamino)-5-(2-pyrrolidinoethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOCC2=NC3=C(C=NN3C(=C2)NC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCN(C1)CCOCC2=NC3=C(C=NN3C(=C2)NC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C21H22N6O3/c22-11-15-12-23-27-20(24-16-3-4-18-19(9-16)30-14-29-18)10-17(25-21(15)27)13-28-8-7-26-5-1-2-6-26/h3-4,9-10,12,24H,1-2,5-8,13-14H2