N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclopentyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclopentyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclopentyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclopentylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C17H21N5O2/c18-15-16(20-9-21-17(15)22-12-3-1-2-4-12)19-8-11-5-6-13-14(7-11)24-10-23-13/h5-7,9,12H,1-4,8,10,18H2,(H2,19,20,21,22)