N6-(4-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C22H25N5O2/c1-2-3-4-15-5-7-16(8-6-15)26-21-20(23)22(25-14-24-21)27-17-9-10-18-19(13-17)29-12-11-28-18/h5-10,13-14H,2-4,11-12,23H2,1H3,(H2,24,25,26,27)