N-(1,3-benzodioxol-5-yl)-1-methyl-3-propyl-5-thiophen-2-yl-pyrazolo[4,3-d]pyrimidin-7-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-methyl-3-propyl-5-thiophen-2-yl-pyrazolo[4,3-d]pyrimidin-7-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-1-methyl-3-propyl-5-(2-thienyl)pyrazolo[4,3-d]pyrimidin-7-amine CAS Name: N-(1,3-benzodioxol-5-yl)-1-methyl-3-propyl-5-thiophen-2-yl-7-pyrazolo[4,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-methyl-3-propyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine Traditional Name: 1,3-benzodioxol-5-yl-[1-methyl-3-propyl-5-(2-thienyl)pyrazolo[4,3-d]pyrimidin-7-yl]amine Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C5=CC=CS5)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C5=CC=CS5)C

InChI

InChI=1S/C20H19N5O2S/c1-3-5-13-17-18(25(2)24-13)20(23-19(22-17)16-6-4-9-28-16)21-12-7-8-14-15(10-12)27-11-26-14/h4,6-10H,3,5,11H2,1-2H3,(H,21,22,23)