5-[[2-(diethylaminomethyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[2-(diethylaminomethyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(diethylaminomethyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(diethylaminomethyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(diethylaminomethyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [5-[(2,4-diaminopyrimidin-5-yl)methyl]-1,3-benzodioxol-2-yl]methyl-diethyl-amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCN(CC)CC1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C17H23N5O2/c1-3-22(4-2)10-15-23-13-6-5-11(8-14(13)24-15)7-12-9-20-17(19)21-16(12)18/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H4,18,19,20,21)