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

Systemtic Name: 5-[(2-decyl-2-methyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2-decyl-2-methyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(2-decyl-2-methyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(2-decyl-2-methyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-decyl-2-methyl-1,3-benzodioxol-5-yl)methyl]pyrimidin-4-yl]amine Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N)C

Isomeric SMILES

CCCCCCCCCCC1(OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N)C

InChI

InChI=1S/C23H34N4O2/c1-3-4-5-6-7-8-9-10-13-23(2)28-19-12-11-17(15-20(19)29-23)14-18-16-26-22(25)27-21(18)24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H4,24,25,26,27)