5-[(7-methoxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(7-methoxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(7-methoxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(7-methoxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(7-methoxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(7-methoxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methyl]pyrimidin-4-yl]amine Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CN=C(N=C5N)N

Isomeric SMILES

COC1=CC(=CC2=C1OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C25H22N4O3/c1-30-20-13-16(12-17-15-28-24(27)29-23(17)26)14-21-22(20)32-25(31-21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,13-15H,12H2,1H3,(H4,26,27,28,29)